Acrylonitrile C3H3N structure – Flashcards

Flashcard maker : Carol Rushing

Molecular Formula C3H3N
Average mass 53.063 Da
Density 0.8±0.1 g/cm3
Boiling Point 77.3±0.0 °C at 760 mmHg
Flash Point 0.0±0.0 °C
Molar Refractivity 15.6±0.3 cm3
Polarizability 6.2±0.5 10-24cm3
Surface Tension 25.0±3.0 dyne/cm
Molar Volume 66.5±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      -84 °C Alfa Aesar
      -83.5 °C Jean-Claude Bradley Open Melting Point Dataset 20545
      -84 °C Jean-Claude Bradley Open Melting Point Dataset 6331
      -84 °C Alfa Aesar A13058
    • Experimental Boiling Point:

      77-78 °C Alfa Aesar
      171 F (77.2222 °C)
      NIOSH AT5250000
      77-78 °C Alfa Aesar A13058
    • Experimental Ionization Potent:

      10.91 Ev NIOSH AT5250000
    • Experimental Vapor Pressure:

      83 mmHg NIOSH AT5250000
    • Experimental Flash Point:

      0 °C Alfa Aesar
      30 F (-1.1111 °C)
      NIOSH AT5250000
      0 °C Alfa Aesar
      0 °F (-17.7778 °C)
      Alfa Aesar A13058
      -6 °C LabNetwork LN00198150
    • Experimental Freezing Point:

      -116 F (-82.2222 °C)
      NIOSH AT5250000
    • Experimental Gravity:

      20 g/mL Merck Millipore 1169
      20 g/l Merck Millipore 1169, 800834
      0.806 g/mL Alfa Aesar A13058
    • Experimental Refraction Index:

      1.391 Alfa Aesar A13058
    • Experimental Solubility:

      7% NIOSH AT5250000
  • Miscellaneous
    • Appearance:

      Colorless to pale-yellow liquid with an unpleasant odor. [Note: Odor can only be detected above the PEL.] NIOSH AT5250000
      white chalk-like solid Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      3 Alfa Aesar A13058
      45-11-23/24/25-37/38-41-43-51/53 Alfa Aesar A13058
      53-9-16-45-61 Alfa Aesar A13058
      Danger Alfa Aesar A13058
      DANGER: FLAMMABLE, POISON, severe irritant Alfa Aesar A13058
      DANGER: FLAMMABLE; CONTAINS ACRYLONITRILE (AN)-CANCER HAZARD Alfa Aesar A13058
      H225-H301-H311-H331-H350-H318-H315-H317-H335-H411 Alfa Aesar A13058
      P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501a Alfa Aesar A13058
      Safety glasses, adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Eye: Irrigate immediately Skin: Water wash immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH AT5250000
    • Exposure Routes:

      inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH AT5250000
    • Symptoms:

      Irritation eyes, skin; asphyxia; headache; sneezing; nausea, vomiting; lassitude (weakness, exhaustion), dizziness; skin vesiculation; scaling dermatitis; [potential occupational carcinogen] NIOSH AT5250000
    • Target Organs:

      Eyes, skin, cardiovascular system, liver, kidneys, central nervous system Cancer Site [brain tumors, lung & bowel cancer] NIOSH AT5250000
    • Incompatibility:

      Strong oxidizers, acids & alkalis; bromine; amines [Note: Unless inhibited (usually with methylhydroquinone), may polymerize spontaneously or when heated or in presence of strong alkali. Attacks coppe
      r.] NIOSH AT5250000
    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet (flammable) Change: No recommendation Provide: Eyewash, Quick drench NIOSH AT5250000
    • Exposure Limits:

      NIOSH REL : Ca TWA 1 ppm C 10 ppm [15-minute] [skin] See Appendix A OSHA PEL : [1910.1045] TWA 2 ppm C 10 ppm [15-minute] [skin] NIOSH AT5250000
  • Gas Chromatography
    • Retention Index (Kovats):

      555 (estimated with error: 83) NIST Spectra mainlib_228280, replib_150247, replib_114922
      496.4 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.15 mm; Column length: 25 m; Column type: Capillary; Start T: 20 C; CAS no: 107131; Active phase: CP Sil 5 CB; Carrier gas: H2; Phase thickness: 2 um; Data type: Kovats RI; Authors: Do, L.; Raulin, F., Gas chromatography of Titan’s atmosphere. III. Analysis of low-molecular-weight hydrocarbons and nitriles with a CP-Sil-5 CB WCOT capillary column, J. Chromatogr., 591, 1992, 297-301.) NIST Spectra nist ri
      500 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 100 C; CAS no: 107131; Active phase: SE-30; Substrate: Gaschrom Q; Data type: Kovats RI; Authors: Winskowski, J., Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren, Chromatographia, 17(3), 1983, 160-165.) NIST Spectra nist ri
      540 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.15 mm; Column length: 12 m; Column type: Capillary; Start T: 30 C; CAS no: 107131; Active phase: BPX-5; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Aflalaye, A.; Sternberg, R.; Raulin, F.; Vidal-Madjar, C., Gas chromatography of Titan’s atmosphere. VI. Analysis of low-molecular-mass hydrocarbons and nitriles with BPX5 capillary columns, J. Chromatogr. A, 708, 1995, 283-291.) NIST Spectra nist ri
      544 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.15 mm; Column length: 12 m; Column type: Capillary; Start T: 30 C; CAS no: 107131; Active phase: BPX-5; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Aflalaye, A.; Sternberg, R.; Raulin, F.; Vidal-Madjar, C., Gas chromatography of Titan’s atmosphere. VI. Analysis of low-molecular-mass hydrocarbons and nitriles with BPX5 capillary columns, J. Chromatogr. A, 708, 1995, 283-291.) NIST Spectra nist ri
      476 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 10 m; Column type: Capillary; Start T: 100 C; CAS no: 107131; Active phase: PoraPLOT Q; Carrier gas: H2; Phase thickness: 10 um; Data type: Kovats RI; Authors: Do, L.; Raulin, F., Gas chromatography of Titan’s atmosphere. I. Analysis of low-molecular-weight hydrocarbons and nitriles with a PoraPLOT Q porous polymer coated open-tubular capillary column, J. Chromatogr., 481, 1989, 45-54.) NIST Spectra nist ri
      482 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 10 m; Column type: Capillary; Start T: 160 C; CAS no: 107131; Active phase: PoraPLOT Q; Carrier gas: H2; Phase thickness: 10 um; Data type: Kovats RI; Authors: Do, L.; Raulin, F., Gas chromatography of Titan’s atmosphere. I. Analysis of low-molecular-weight hydrocarbons and nitriles with a PoraPLOT Q porous polymer coated open-tubular capillary column, J. Chromatogr., 481, 1989, 45-54.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      495 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 107131; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 107131; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Zenkevich, I.G., New Application of the Retention Index Concept in Gas and High Performance Liquid Chromatography, Fresenius’ J. Anal. Chem., 365, 1999, 305-309, In original 305-309., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 107131; Active phase: Polydimethyl siloxanes; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Influence of the Variations of Dynamics Molecular Parameterts on the Additivity of Chromatigraphic Retention Indices of Products of Organic Reactions Relative to Initial Reagents, Dokl. Akad. Nauk (Rus.), 353(5), 1997, 625-627, In original 625-627.) NIST Spectra nist ri
      499.1 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.53 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 40 C; End T: 260 C; Start time: 5 min; CAS no: 107131; Active phase: DB-1; Carrier gas: He; Phase thickness: 3 um; Data type: Normal alkane RI; Authors: J&W Scientific, Solvent Retention Data, 2003.) NIST Spectra nist ri
      493.4 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.53 mm; Column type: Capillary; Heat rate: 4 K/min; Start T: 35 C; End T: 220 C; End time: 2 min; Start time: 10 min; CAS no: 107131; Active phase: RTX-1; Carrier gas: He; Phase thickness: 3 um; Data type: Normal alkane RI; Authors: Restek, Restek International, 1999 Product Guide, 1(1), 1999, 578-591, In original 578-591.) NIST Spectra nist ri
      492 (Program type: Complex; Column… (show more) class: Standard non-polar; Column diameter: 0.53 mm; Column length: 60 m; Column type: Capillary; Description: 40C(6min)=>5C/min=>80C=>10C/min=>200C; CAS no: 107131; Active phase: SPB-1; Carrier gas: He; Phase thickness: 5 um; Data type: Normal alkane RI; Authors: Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56.) NIST Spectra nist ri
      516 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.23 mm; Column length: 20 m; Column type: Capillary; Start T: 32 C; CAS no: 107131; Active phase: OV-101; Data type: Normal alkane RI; Authors: Blazso, M.; Ujszaszi, K.; Jakab, E., Isomeric structure of styrene-acrylonitrile and styrene-methylacrylate copolymer pyrolysis products, Chromatographia, 13(3), 1980, 151-156.) NIST Spectra nist ri
      521 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.2 mm; Column length: 50 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 280 C; End time: 30 min; CAS no: 107131; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Wang, S.-F.; Liu, B.-Z.; Sun, K.-J.; Su, Q.-D., Gas chromatographic-mass spectrometric determination of polycyclic aromatic hydrocarbons formed during the pyrolysis of phenylalanine, J. Chromatogr. A, 1025, 2004, 255-261.) NIST Spectra nist ri
      526 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 180 C; Start time: 3 min; CAS no: 107131; Active phase: HP-5; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Jung, A.; Wichmann, K.-H.; Kolb, M., VOC emission of polymeric packaging materials, LaborPraxis, 23(9), 1999, 20-22.) NIST Spectra nist ri
      526.2 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 107131; Active phase: RTX-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Wentworth, W.E.; Helias, N.; Zlatkis, A.; Chen, E.C.M.; Stearns, S.D., Multiple detector responses for gas chromatography peak identification, J. Chromatogr. A, 795, 1998, 319-347.) NIST Spectra nist ri
      482 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 1.5 m; Column type: Packed; Start T: 150 C; CAS no: 107131; Active phase: Synachrom; Carrier gas: Helium; Substrate: Synachrom (60-80 mesh); Data type: Normal alkane RI; Authors: Dufka, O.; Malinsky, J.; Vladyka, J., Sorpcni materialy pro plynovou chromatographii – III, Chemicky promysl., 21/46(9), 1971, 459-463.) NIST Spectra nist ri
      488 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 1.5 m; Column type: Packed; Start T: 150 C; CAS no: 107131; Active phase: Synachrom; Carrier gas: Helium; Substrate: Synachrom (60-80 mesh); Data type: Normal alkane RI; Authors: Dufka, O.; Malinsky, J.; Vladyka, J., Sorpcni materialy pro plynovou chromatographii – III, Chemicky promysl., 21/46(9), 1971, 459-463.) NIST Spectra nist ri
      1007.3 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.53 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 40 C; End T: 230 C; Start time: 7 min; CAS no: 107131; Active phase: DB-Wax; Carrier gas: He; Phase thickness: 1 um; Data type: Normal alkane RI; Authors: J&W Scientific, Solvent Retention Data, 2003.) NIST Spectra nist ri
      997.6 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 40 C; End T: 200 C; End time: 20 min; Start time: 10 min; CAS no: 107131; Active phase: CP-Wax 52CB; Carrier gas: N2; Phase thickness: 0.20 um; Data type: Normal alkane RI; Authors: Houeto, P.; Borron, S.W.; Marliere, F.; Baud, F.J.; Levillain, P., Development of a method for measuring volatile organic compounds in the blood of fire victims using ‘Purge and Trap’ gas chromatography, Indoor+Built Environ., 10, 2001, 62-69.) NIST Spectra nist ri
      1001.7 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 240 C; Start time: 2 min; CAS no: 107131; Active phase: Supelcowax-10; Carrier gas: He; Phase thickness: 0.32 um; Data type: Normal alkane RI; Authors: Barrio, M.E.; Lliberia, J.Ll.; Comellas, L.; Broto-Puig, F., Pyrolysis-gas chromatography applied to the study of organic matter evolution in sewage sludge-amended soils using nitrogen-phosphorus, flame ionization and mass spectrometric detection, J. Chromatogr. A, 719, 1996, 131-139.) NIST Spectra nist ri
      1010 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column type: Capillary; CAS no: 107131; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 240, 1982, 423-444.) NIST Spectra nist ri
    • Retention Index (Linear):

      520 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column length: 1.5 m; Column type: Packed; Heat rate: 5 K/min; Start T: 60 C; End T: 280 C; CAS no: 107131; Active phase: SE-30; Substrate: Chromosorb W AW (80-100 mesh); Data type: Linear RI; Authors: Fischer, W.G.; Kusch, P., Automatic sampler for Curie-point pyrolysis-gas chromatography with on-column introduction of pyrolysates, J. Chromatogr., 518, 1990, 9-19.) NIST Spectra nist ri
      521.1 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 2.5 K/min; Start T: 50 C; End T: 200 C; CAS no: 107131; Active phase: DB-5; Carrier gas: He; Phase thickness: 1 um; Data type: Linear RI; Authors: Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J., Comprehensive two-dimensional gas chromatography (GC*GC) measurements of volatile organic compounds in the atmosphere, Atmos. Chem. Phys., 3, 2003, 665-682.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 77.3±0.0 °C at 760 mmHg
Vapour Pressure: 97.1±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.8±3.0 kJ/mol
Flash Point: 0.0±0.0 °C
Index of Refraction: 1.385
Molar Refractivity: 15.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 42.56
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 42.56
Polar Surface Area: 24 Å2
Polarizability: 6.2±0.5 10-24cm3
Surface Tension: 25.0±3.0 dyne/cm
Molar Volume: 66.5±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

 
 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 0.21
 Log Kow (Exper. database match) = 0.25
 Exper. Ref: Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 94.65 (Adapted Stein & Brown method)
 Melting Pt (deg C): -72.38 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 97.5 (Mean VP of Antoine & Grain methods)
 MP (exp database): -83.5 deg C
 BP (exp database): 77.3 deg C
 VP (exp database): 1.09E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 4.529e+004
 log Kow used: 0.25 (expkow database)
 no-melting pt equation used
 Water Sol (Exper. database match) = 7.45e+004 mg/L (25 deg C)
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 86474 mg/L
 Wat Sol (Exper. database match) = 74500.00
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Allylic/Vinyl Nitriles

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.38E-004 atm-m3/mole
 Group Method: 1.38E-004 atm-m3/mole
 Exper Database: 1.38E-04 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 1.503E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 0.25 (exp database)
 Log Kaw used: -2.249 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 2.499
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 1.0293
 Biowin2 (Non-Linear Model) : 0.9990
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.9995 (weeks )
 Biowin4 (Primary Survey Model) : 3.7060 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.6445
 Biowin6 (MITI Non-Linear Model): 0.7881
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.6155
 Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
 Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 1.45E+004 Pa (109 mm Hg)
 Log Koa (Koawin est ): 2.499
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 2.06E-010 
 Octanol/air (Koa) model: 7.74E-011 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 7.46E-009 
 Mackay model : 1.65E-008 
 Octanol/air (Koa) model: 6.2E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 4.2080 E-12 cm3/molecule-sec
 Half-Life = 2.542 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 30.502 Hrs
 Ozone Reaction:
 OVERALL Ozone Rate Constant = 0.008750 E-17 cm3/molecule-sec
 Half-Life = 130.971 Days (at 7E11 mol/cm3)
 Fraction sorbed to airborne particulates (phi): 1.2E-008 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 8.3
 Log Koc: 0.919 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.500 (BCF = 3.162)
 log Kow used: 0.25 (expkow database)

 Volatilization from Water:
 Henry LC: 0.000138 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 3.834 hours
 Half-Life from Model Lake : 102.9 hours (4.288 days)

 Removal In Wastewater Treatment:
 Total removal: 8.21 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.66 percent
 Total to Air: 6.46 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 12.3 61.4 1000 
 Water 47.5 360 1000 
 Soil 40.1 720 1000 
 Sediment 0.0884 3.24e+003 0 
 Persistence Time: 227 hr




 

Click to predict properties on the Chemicalize site

  • 1-Click Docking
  • 1-Click Scaffold Hop

Get an explanation on any task
Get unstuck with the help of our AI assistant in seconds
New