ChemSpider 2D Image | MFCD08460911 | CD2Cl2


  • Molecular FormulaCD2Cl2
  • Average mass86.945 Da
  • Monoisotopic mass85.965912 Da
  • ChemSpider ID141111
  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1665-00-5 [RN]
216-776-0 [EINECS]
CD2Cl2 [Formula]
Dichlor(2H2)methan [German] [ACD/IUPAC Name]
Dichloro(2H2)methane [ACD/IUPAC Name]
Dichloro(2H2)méthane [French] [ACD/IUPAC Name]
Dichloromethane, deuterated

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1733318 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 39.6±0.0 °C at 760 mmHg
Vapour Pressure: 448.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 28.1±0.0 kJ/mol
Flash Point: -14.1±22.4 °C
Index of Refraction: 1.398
Molar Refractivity: 16.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.89
ACD/KOC (pH 5.5): 123.83
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.89
ACD/KOC (pH 7.4): 123.83
Polar Surface Area: 0 Å2
Polarizability: 6.5±0.5 10-24cm3
Surface Tension: 23.2±3.0 dyne/cm
Molar Volume: 67.8±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) =  1.34
    Log Kow (Exper. database match) =  1.25
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  80.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -89.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  432  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -95.1 deg C
    BP  (exp database):  40 deg C
    VP  (exp database):  4.35E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.095e+004
       log Kow used: 1.25 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.3e+004 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL (1982)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11665 mg/L
    Wat Sol (Exper. database match) =  13000.00
       Exper. Ref:  HORVATH,AL (1982)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.14E-003  atm-m3/mole
   Group Method:   3.01E-003  atm-m3/mole
   Exper Database: 3.25E-03  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.409E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.25  (exp database)
  Log Kaw used:  -0.877  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.127
      Log Koa (experimental database):  2.270

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4843
   Biowin2 (Non-Linear Model)     :   0.1298
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6651  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5240  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5111
   Biowin6 (MITI Non-Linear Model):   0.3154
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8328
 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):  5.8E+004 Pa (435 mm Hg)
  Log Koa (Exp database): 2.270
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.17E-011 
       Octanol/air (Koa) model:  4.57E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.87E-009 
       Mackay model           :  4.14E-009 
       Octanol/air (Koa) model:  3.66E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1349 E-12 cm3/molecule-sec
      Half-Life =    79.306 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  23.74
      Log Koc:  1.376 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  5.095E-009  L/mol-sec
  Kb Half-Life at pH 8: 4.311E+006  years  
  Kb Half-Life at pH 7: 4.311E+007  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.263 (BCF = 1.83)
       log Kow used: 1.25 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00325 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.106  hours
    Half-Life from Model Lake :      89.34  hours   (3.723 days)

 Removal In Wastewater Treatment:
    Total removal:              56.91  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     0.96  percent
    Total to Air:               55.90  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       46              1.81e+003    1000       
   Water     47.1            900          1000       
   Soil      6.88            1.8e+003     1000       
   Sediment  0.106           8.1e+003     0          
     Persistence Time: 178 hr


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