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Search term: 662-01-1 (Found by approved synonym)
ChemSpider 2D Image | 1,3-DICHLOROHEXAFLUOROPROPANE | C3Cl2F6

1,3-DICHLOROHEXAFLUOROPROPANE

  • Molecular FormulaC3Cl2F6
  • Average mass220.928 Da
  • Monoisotopic mass219.928131 Da
  • ChemSpider ID62784

More details:

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

1,3-Dichlor-1,1,2,2,3,3-hexafluorpropan [German] [ACD/IUPAC Name]
1,3-Dichloro-1,1,2,2,3,3-hexafluoropropane [ACD/IUPAC Name]
1,3-Dichloro-1,1,2,2,3,3-hexafluoropropane [French] [ACD/IUPAC Name]
1,3-DICHLOROHEXAFLUOROPROPANE
211-552-9 [EINECS]
662-01-1 [RN]
Propane, 1,3-dichloro-1,1,2,2,3,3-hexafluoro- [ACD/Index Name]
[662-01-1] [RN]
3-Aminocyclopentanecarboxylic acid hydrochloride
99.5%
More...

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

MFCD00018815 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 37.0±8.0 °C at 760 mmHg
Vapour Pressure: 493.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 27.0±3.0 kJ/mol
Flash Point: -21.3±11.9 °C
Index of Refraction: 1.320
Molar Refractivity: 26.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.43
ACD/KOC (pH 5.5): 1518.82
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.43
ACD/KOC (pH 7.4): 1518.82
Polar Surface Area: 0 Å2
Polarizability: 10.5±0.5 10-24cm3
Surface Tension: 16.8±3.0 dyne/cm
Molar Volume: 133.7±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) =  3.75

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  13.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -92.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.17E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.885
       log Kow used: 3.75 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.2444 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.93E+000  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.687E+001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.75  (KowWin est)
  Log Kaw used:  2.511  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.239
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1322
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7282  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.8674  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3642
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1959
 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):  1.55E+005 Pa (1.16E+003 mm Hg)
  Log Koa (Koawin est  ): 1.239
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.94E-011 
       Octanol/air (Koa) model:  4.26E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.01E-010 
       Mackay model           :  1.55E-009 
       Octanol/air (Koa) model:  3.4E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.13E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1038
      Log Koc:  3.016 

 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 = 2.186 (BCF = 153.4)
       log Kow used: 3.75 (estimated)

 Volatilization from Water:
    Henry LC:  7.93 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.517  hours
    Half-Life from Model Lake :      141.2  hours   (5.883 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.97  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:    11.10  percent
    Total to Air:               88.83  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       44.3            1e+005       1000       
   Water     45.2            4.32e+003    1000       
   Soil      0.62            8.64e+003    1000       
   Sediment  9.86            3.89e+004    0          
     Persistence Time: 201 hr

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