2-Chlorodecane C10H21Cl structure

Flashcard maker : Ben Stevenson

Molecular Formula C10H21Cl
Average mass 176.727 Da
Density 0.9±0.1 g/cm3
Boiling Point 216.7±8.0 °C at 760 mmHg
Flash Point 77.0±16.5 °C
Molar Refractivity 53.2±0.3 cm3
Polarizability 21.1±0.5 10-24cm3
Surface Tension 26.5±3.0 dyne/cm
Molar Volume 205.4±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Gas Chromatography
    • Retention Index (Kovats):

      1215 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 150 C; CAS no: 1002568; Active phase: Apiezon L; Data type: Kovats RI; Authors: Jaworski, M., Wybrane przyklady stosowania systemu indeksow retencji, Przem. Chem., 61(9), 1982, 334-338.) NIST Spectra nist ri
      1374 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column length: 2.8 m; Column type: Packed; Heat rate: 6 K/min; Start T: 110 C; End T: 200 C; CAS no: 1002568; Active phase: PEG-20M; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Jaworski, M.; Zolna, H., Oznaczanie alkanow, monochloroalkanow i polichloroalkanow metoda chromatografii gazowej, Chem. Anal. (Warsaw), 27, 1982, 97-105.) NIST Spectra nist ri
      1376 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column length: 2.8 m; Column type: Packed; Start T: 130 C; CAS no: 1002568; Active phase: PEG-20M; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Jaworski, M.; Zolna, H., Oznaczanie alkanow, monochloroalkanow i polichloroalkanow metoda chromatografii gazowej, Chem. Anal. (Warsaw), 27, 1982, 97-105., Program type: Isothermal; Col… (show more) umn class: Standard polar; Column type: Packed; Start T: 130 C; CAS no: 1002568; Active phase: PEG-20M; Data type: Kovats RI; Authors: Jaworski, M., Wybrane przyklady stosowania systemu indeksow retencji, Przem. Chem., 61(9), 1982, 334-338.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 216.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.5±3.0 kJ/mol
Flash Point: 77.0±16.5 °C
Index of Refraction: 1.431
Molar Refractivity: 53.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4098.04
ACD/KOC (pH 5.5): 13411.45
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4098.04
ACD/KOC (pH 7.4): 13411.45
Polar Surface Area: 0 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 26.5±3.0 dyne/cm
Molar Volume: 205.4±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) = 5.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 196.37 (Adapted Stein & Brown method)
 Melting Pt (deg C): -27.39 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.432 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1.309
 log Kow used: 5.43 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1.9017 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.05E-001 atm-m3/mole
 Group Method: 1.65E-001 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 7.674E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 5.43 (KowWin est)
 Log Kaw used: 0.633 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 4.797
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.6604
 Biowin2 (Non-Linear Model) : 0.6201
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.9338 (weeks )
 Biowin4 (Primary Survey Model) : 3.7612 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.4835
 Biowin6 (MITI Non-Linear Model): 0.4329
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.3606
 Ready Biodegradability Prediction: NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 52.7 Pa (0.395 mm Hg)
 Log Koa (Koawin est ): 4.797
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 5.7E-008 
 Octanol/air (Koa) model: 1.54E-008 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 2.06E-006 
 Mackay model : 4.56E-006 
 Octanol/air (Koa) model: 1.23E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 9.7506 E-12 cm3/molecule-sec
 Half-Life = 1.097 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 13.163 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 3.31E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 2665
 Log Koc: 3.426 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Total Kb for pH > 8 at 25 deg C : 9.496E-012 L/mol-sec
 Kb Half-Life at pH 8: 2.313E+009 years 
 Kb Half-Life at pH 7: 2.313E+010 years 

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 2.483 (BCF = 304.3)
 log Kow used: 5.43 (estimated)

 Volatilization from Water:
 Henry LC: 0.105 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 1.364 hours
 Half-Life from Model Lake : 126.4 hours (5.265 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
 Total removal: 98.22 percent
 Total biodegradation: 0.24 percent
 Total sludge adsorption: 59.24 percent
 Total to Air: 38.74 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 2.62 26.3 1000 
 Water 11 360 1000 
 Soil 55.8 720 1000 
 Sediment 30.6 3.24e+003 0 
 Persistence Time: 532 hr




 

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