ChemSpider 2D Image | cfc 13b1 | CBrF3

cfc 13b1

  • Molecular FormulaCBrF3
  • Average mass148.910 Da
  • Monoisotopic mass147.913544 Da
  • ChemSpider ID6144

More details:






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

75-63-8 [RN]
Brom(trifluor)methan [German] [ACD/IUPAC Name]
Bromo(trifluoro)methane [ACD/IUPAC Name]
Bromo(trifluoro)méthane [French] [ACD/IUPAC Name]
cfc 13b1
Methane, bromotrifluoro- [ACD/Index Name]
200-887-6 [EINECS]
Bromofluoroform
bromo-trifluoromethane
BROMOTRIFLUOROMETHANE [Wiki]
More...

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

UN 1009 [DBID]
FE 1301 [DBID]
Halon 1301 [DBID]
Halon-1301 [DBID]
HSDB 141 [DBID]
UN1009 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point: -52.3±8.0 °C at 760 mmHg
Vapour Pressure: 9744.4±0.1 mmHg at 25°C
Enthalpy of Vaporization: 19.7±3.0 kJ/mol
Flash Point: -121.7±14.3 °C
Index of Refraction: 1.322
Molar Refractivity: 14.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.16
ACD/KOC (pH 5.5): 255.08
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.16
ACD/KOC (pH 7.4): 255.08
Polar Surface Area: 0 Å2
Polarizability: 5.9±0.5 10-24cm3
Surface Tension: 15.4±3.0 dyne/cm
Molar Volume: 74.6±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) =  1.59
    Log Kow (Exper. database match) =  1.86
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  7.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -108.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.84E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -172 deg C
    BP  (exp database):  -57.8 deg C
    VP  (exp database):  1.22E+04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  358.4
       log Kow used: 1.86 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  320 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL (1982)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2126.6 mg/L
    Wat Sol (Exper. database match) =  320.00
       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 :   5.31E-001  atm-m3/mole
   Group Method:   4.99E-001  atm-m3/mole
   Exper Database: 4.99E-01  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.155E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.86  (exp database)
  Log Kaw used:  1.310  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  0.550
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1101
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3861  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3939  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4180
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1952
 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):  1.63E+006 Pa (1.22E+004 mm Hg)
  Log Koa (Koawin est  ): 0.550
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.84E-012 
       Octanol/air (Koa) model:  8.71E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.66E-011 
       Mackay model           :  1.48E-010 
       Octanol/air (Koa) model:  6.97E-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): 1.07E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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 = 0.732 (BCF = 5.398)
       log Kow used: 1.86 (expkow database)

 Volatilization from Water:
    Henry LC:  0.499 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.247  hours
    Half-Life from Model Lake :      115.9  hours   (4.83 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.48  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.43  percent
    Total to Air:               99.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       52.1            1e+005       1000       
   Water     47.3            900          1000       
   Soil      0.507           1.8e+003     1000       
   Sediment  0.157           8.1e+003     0          
     Persistence Time: 165 hr




                    

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