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ChemSpider 2D Image | 1,1,1-TRICHLOROPENTAFLUOROPROPANE | C3Cl3F5

1,1,1-TRICHLOROPENTAFLUOROPROPANE

  • Molecular FormulaC3Cl3F5
  • Average mass237.383 Da
  • Monoisotopic mass235.898575 Da
  • ChemSpider ID55276

More details:

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

1,1,1-Trichlor-2,2,3,3,3-pentafluorpropan [German] [ACD/IUPAC Name]
1,1,1-Trichloro-2,2,3,3,3-pentafluoropropane [ACD/IUPAC Name]
1,1,1-Trichloro-2,2,3,3,3-pentafluoropropane [French] [ACD/IUPAC Name]
1,1,1-TRICHLOROPENTAFLUOROPROPANE
4259-43-2 [RN]
Propane, 1,1,1-trichloro-2,2,3,3,3-pentafluoro- [ACD/Index Name]
1,1,1,2,2-Pentafluoro-3,3,3-trichloropropane
1,1,1,2,2-Pentafluoro-3,3,3-trichloropropane; CFC-215cb; 1,1,1-Trichloropentafluoropropane
2,2,3,3,3-Pentafluoro-1,1,1-trichloropropane
CFC-215cb
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CFC 215 [DBID]
CFC-215 [DBID]
Freon 215 [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: 71.9±8.0 °C at 760 mmHg
Vapour Pressure: 132.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.0±3.0 kJ/mol
Flash Point: 3.0±11.9 °C
Index of Refraction: 1.365
Molar Refractivity: 31.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 692.00
ACD/KOC (pH 5.5): 3754.47
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 692.00
ACD/KOC (pH 7.4): 3754.47
Polar Surface Area: 0 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 21.2±3.0 dyne/cm
Molar Volume: 139.6±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) =  4.06

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  52.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -66.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  112  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -80 deg C
    BP  (exp database):  74 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.711
       log Kow used: 4.06 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.5789 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.40E+000  atm-m3/mole
   Group Method:   3.88E-001  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.045E+001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.06  (KowWin est)
  Log Kaw used:  1.758  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.302
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.5879
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.2178  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.6221  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2313
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1236
 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):  1.45E+004 Pa (109 mm Hg)
  Log Koa (Koawin est  ): 2.302
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.06E-010 
       Octanol/air (Koa) model:  4.92E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.46E-009 
       Mackay model           :  1.65E-008 
       Octanol/air (Koa) model:  3.94E-009 

 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): 1.2E-008 (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 = 2.427 (BCF = 267.3)
       log Kow used: 4.06 (estimated)

 Volatilization from Water:
    Henry LC:  1.4 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.573  hours
    Half-Life from Model Lake :      146.3  hours   (6.098 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.84  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:    18.90  percent
    Total to Air:               80.88  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       38.2            1e+005       1000       
   Water     39              4.32e+003    1000       
   Soil      3.13            8.64e+003    1000       
   Sediment  19.6            3.89e+004    0          
     Persistence Time: 233 hr

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