1,1-Dimethylhydrazine C2H8N2 structure

Flashcard maker : Kelly Fisher

Molecular FormulaC2H8N2
Average mass60.098 Da
Density0.8±0.1 g/cm3
Boiling Point63.9±9.0 °C at 760 mmHg
Flash Point1.1±0.0 °C
Molar Refractivity18.6±0.3 cm3
Polarizability7.4±0.5 10-24cm3
Surface Tension27.8±3.0 dyne/cm
Molar Volume72.5±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      -58 °C Jean-Claude Bradley Open Melting Point Dataset 21394
      -57 °C Biosynth Q-200052
    • Experimental Boiling Point:

      147 F (63.8889 °C)
      NIOSH MV2450000
      61 °C Biosynth Q-200052
      60-62 °C SynQuest 3139-1-02
    • Experimental Ionization Potent:

      8.05 Ev NIOSH MV2450000
    • Experimental Vapor Pressure:

      103 mmHg NIOSH MV2450000
    • Experimental Flash Point:

      5 F (-15 °C)
      NIOSH MV2450000
      -10 °C Biosynth Q-200052
      -10 °C SynQuest 3139-1-02
    • Experimental Freezing Point:

      -72 F (-57.7778 °C)
      NIOSH MV2450000
    • Experimental Gravity:

      20 g/mL Merck Millipore 2287
      20 g/l Merck Millipore 2287, 810408
      0.79 g/mL Biosynth Q-200052
      0.79 g/mL SynQuest 3139-1-02
    • Experimental Solubility:

      Miscible NIOSH MV2450000
  • Miscellaneous
    • Appearance:

      Colorless liquid with an ammonia- or fish-like odor. NIOSH MV2450000
    • Safety:

      Danger Biosynth Q-200052
      GHS02; GHS05; GHS06; GHS08; GHS09 Biosynth Q-200052
      H225; H301; H314; H331; H350; H411 Biosynth Q-200052
      Highly Flammable/Toxic/Corrosive/Carcinogenic/Keep Cold SynQuest 3139-1-02
      Highly Flammable/Toxic/Corrosive/Keep Cold SynQuest 3139-1-02
      P201; P210; P261; P273; P280; P301+P310 Biosynth Q-200052
    • First-Aid:

      Eye: Irrigate immediately Skin: Water flush immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH MV2450000
    • Exposure Routes:

      inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH MV2450000
    • Symptoms:

      Irritation eyes, skin; choking, chest pain, dyspnea (breathing difficulty); drowsiness; nausea; anoxia; convulsions; liver injury; [potential occupational carcinogen] NIOSH MV2450000
    • Target Organs:

      central nervous system, liver, gastrointestinal tract, blood, respiratory system, eyes, skin Cancer Site [in animals: tumors of the lungs, liver, blood vessels & intestines] NIOSH MV2450000
    • Incompatibility:

      Oxidizers, halogens, metallic mercury, fuming nitric acid, hydrogen peroxide [Note: May ignite SPONTANEOUSLY in contact with oxidizers.] NIOSH MV2450000
    • 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 MV2450000
    • Exposure Limits:

      NIOSH REL : Ca C 0.06 ppm (0.15 mg/m 3 ) [2-hr] See Appendix A OSHA PEL : TWA 0.5 ppm (1 mg/m 3 ) [skin] NIOSH MV2450000
  • Gas Chromatography
    • Retention Index (Kovats):

      512 (estimated with error: 83) NIST Spectra mainlib_229632, replib_161136, replib_64423
    • Retention Index (Normal Alkane):

      527 (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: 57147; 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.) 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: 63.9±9.0 °C at 760 mmHg
Vapour Pressure: 167.9±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.6±3.0 kJ/mol
Flash Point: 1.1±0.0 °C
Index of Refraction: 1.426
Molar Refractivity: 18.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -3.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 29 Å2
Polarizability: 7.4±0.5 10-24cm3
Surface Tension: 27.8±3.0 dyne/cm
Molar Volume: 72.5±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) = -1.19

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 62.03 (Adapted Stein & Brown method)
 Melting Pt (deg C): -61.29 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 168 (Mean VP of Antoine & Grain methods)
 MP (exp database): -58 deg C
 BP (exp database): 63.9 deg C
 VP (exp database): 1.63E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1e+006
 log Kow used: -1.19 (estimated)
 no-melting pt equation used
 Water Sol (Exper. database match) = 1e+006 mg/L ( deg C)
 Exper. Ref: MERCK INDEX (1996)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1e+006 mg/L
 Wat Sol (Exper. database match) = 1000000.00
 Exper. Ref: MERCK INDEX (1996)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 6.95E-008 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 1.329E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: -1.19 (KowWin est)
 Log Kaw used: -5.546 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 4.356
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7189
 Biowin2 (Non-Linear Model) : 0.8962
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0664 (weeks )
 Biowin4 (Primary Survey Model) : 3.7610 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.1612
 Biowin6 (MITI Non-Linear Model): 0.0000
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.6769
 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): 2.17E+004 Pa (163 mm Hg)
 Log Koa (Koawin est ): 4.356
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.38E-010 
 Octanol/air (Koa) model: 5.57E-009 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 4.99E-009 
 Mackay model : 1.1E-008 
 Octanol/air (Koa) model: 4.46E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 2.5296 E-12 cm3/molecule-sec
 Half-Life = 4.228 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 50.740 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 8.01E-009 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 19.78
 Log Koc: 1.296 

 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: -1.19 (estimated)

 Volatilization from Water:
 Henry LC: 6.95E-008 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 6532 hours (272.1 days)
 Half-Life from Model Lake : 7.132E+004 hours (2972 days)

 Removal In Wastewater Treatment:
 Total removal: 1.85 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.75 percent
 Total to Air: 0.00 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.0396 0.274 1000 
 Water 47.9 360 1000 
 Soil 51.9 720 1000 
 Sediment 0.0877 3.24e+003 0 
 Persistence Time: 344 hr


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