ChemSpider 2D Image | Fluorocarbon 115 | C2ClF5

Fluorocarbon 115

  • Molecular FormulaC2ClF5
  • Average mass154.466 Da
  • Monoisotopic mass153.960876 Da
  • ChemSpider ID6190

More details:






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

1-Chlor-1,1,2,2,2-pentafluorethan [German] [ACD/IUPAC Name]
1-Chloro-1,1,2,2,2-pentafluoroethane [ACD/IUPAC Name]
1-Chloro-1,1,2,2,2-pentafluoroéthane [French] [ACD/IUPAC Name]
1-Chloropentafluoroethane
76-15-3 [RN]
Chloropentafluorethane [French]
Ethane, 1-chloro-1,1,2,2,2-pentafluoro- [ACD/Index Name]
Fluorocarbon 115
Refrigerant R115
(Mono)chloropentafluoroethane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CFC 115 [DBID]
F 115 [DBID]
BRN 1740329 [DBID]
CFC-115 [DBID]
F-115 [DBID]
FC 115 [DBID]
FKW 115 [DBID]
Freon 115 [DBID]
HSDB 147 [DBID]
R 115 [DBID]
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: -36.9±8.0 °C at 760 mmHg
Vapour Pressure: 6058.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 20.9±3.0 kJ/mol
Flash Point: -76.9±11.9 °C
Index of Refraction: 1.268
Molar Refractivity: 16.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.95
ACD/KOC (pH 5.5): 496.23
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.95
ACD/KOC (pH 7.4): 496.23
Polar Surface Area: 0 Å2
Polarizability: 6.7±0.5 10-24cm3
Surface Tension: 12.3±3.0 dyne/cm
Molar Volume: 100.3±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) =  2.47

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -33.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -128.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.09E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -99.4 deg C
    BP  (exp database):  -37.9 deg C
    VP  (exp database):  6.86E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  102.4
       log Kow used: 2.47 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  58 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL (1982)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  180.96 mg/L
    Wat Sol (Exper. database match) =  58.00
       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 :   8.53E+000  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 2.66E+00  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.508E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.47  (KowWin est)
  Log Kaw used:  2.036  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  0.434
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1417
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9596  (months      )
   Biowin4 (Primary Survey Model) :   3.0964  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4082
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4872
 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):  9.15E+005 Pa (6.86E+003 mm Hg)
  Log Koa (Koawin est  ): 0.434
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.28E-012 
       Octanol/air (Koa) model:  6.67E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.18E-010 
       Mackay model           :  2.62E-010 
       Octanol/air (Koa) model:  5.33E-011 

 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): 1.9E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  224.7
      Log Koc:  2.352 

 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 = 1.201 (BCF = 15.87)
       log Kow used: 2.47 (estimated)

 Volatilization from Water:
    Henry LC:  2.66 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.269  hours
    Half-Life from Model Lake :      118.1  hours   (4.919 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.90  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.94  percent
    Total to Air:               98.95  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       50.7            1e+005       1000       
   Water     48.5            1.44e+003    1000       
   Soil      0.446           2.88e+003    1000       
   Sediment  0.393           1.3e+004     0          
     Persistence Time: 173 hr




                    

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