PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


ChemSpider 2D Image | Chlorotrifluoromethane | CClF3

Chlorotrifluoromethane

  • Molecular FormulaCClF3
  • Average mass104.459 Da
  • Monoisotopic mass103.964066 Da
  • ChemSpider ID6152

More details:






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

200-894-4 [EINECS]
75-72-9 [RN]
7C6U91JNED
Arcton 3
Chlor(trifluor)methan [German] [ACD/IUPAC Name]
Chloro(trifluoro)methane [ACD/IUPAC Name]
Chloro(trifluoro)méthane [French] [ACD/IUPAC Name]
Chlorotrifluoromethane [Wiki]
Chlorotrifluromethane
Freon R 13
More...

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

CFC-13 [DBID]
FKW 13 [DBID]
MFCD00000773 [DBID]
BRN 1732392 [DBID]
F 13 [DBID]
FC 13 [DBID]
Freon 13 [DBID]
HSDB 140 [DBID]
R 13 [DBID]
UN1022 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      COMPRESSED GAS, OZONE DEPLETER Matrix Scientific 004470
  • Gas Chromatography
    • Retention Index (Normal Alkane):

      209 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 75729; Active phase: Polydimethyl siloxanes; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N., Application of Retention Indices in GC-MS Identification of Halogenated Organic Compounds, Mass Spectromery (Rus.), 3(2), 2006, 131-140, In original 131-140.) NIST Spectra nist ri
      190 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 75729; Active phase: Porapack Q; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Rodin, A.A., Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices, J. Ecol. Chem. (Rus.), 13(1), 2004, 22-28.) NIST Spectra nist ri
      191 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column length: 2 m; Column type: Packed; Heat rate: 5 K/min; Start T: 50 C; End T: 220 C; End time: 0 min; Start time: 0 min; CAS no: 75729; Active phase: Porapack Q; Carrier gas: Nitrogen; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Konukhova, S.V., Gas Chromatographic Identification of Ecologically Safe Freones, Vestn. of St. Petersburg Univ. (Rus.), , 1992, 66-70, In original 66-70.) NIST Spectra nist ri

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

Density: 1.4±0.1 g/cm3
Boiling Point: -78.0±8.0 °C at 760 mmHg
Vapour Pressure: 20950.4±0.1 mmHg at 25°C
Enthalpy of Vaporization: 17.7±3.0 kJ/mol
Flash Point: -72.3±10.4 °C
Index of Refraction: 1.261
Molar Refractivity: 12.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.91
ACD/KOC (pH 5.5): 205.04
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.91
ACD/KOC (pH 7.4): 205.04
Polar Surface Area: 0 Å2
Polarizability: 4.8±0.5 10-24cm3
Surface Tension: 11.5±3.0 dyne/cm
Molar Volume: 72.8±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) =  1.50
    Log Kow (Exper. database match) =  1.65
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -39.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -137.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.94E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -181 deg C
    BP  (exp database):  -81.4 deg C
    VP  (exp database):  2.14E+04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  800.5
       log Kow used: 1.65 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  90 mg/L (25 deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2853.2 mg/L
    Wat Sol (Exper. database match) =  90.00
       Exper. Ref:  RIDDICK,JA ET AL. (1986)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.62E+000  atm-m3/mole
   Group Method:   1.38E+000  atm-m3/mole
   Exper Database: 1.38E+00  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.305E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.65  (exp database)
  Log Kaw used:  1.751  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  -0.101
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0660
   Biowin2 (Non-Linear Model)     :   0.0025
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2822  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3220  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4546
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8214
 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):  2.85E+006 Pa (2.14E+004 mm Hg)
  Log Koa (Koawin est  ): -0.101
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.05E-012 
       Octanol/air (Koa) model:  1.95E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.8E-011 
       Mackay model           :  8.41E-011 
       Octanol/air (Koa) model:  1.56E-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): 6.1E-011 (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 = 0.570 (BCF = 3.72)
       log Kow used: 1.65 (expkow database)

 Volatilization from Water:
    Henry LC:  1.38 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.043  hours
    Half-Life from Model Lake :      97.08  hours   (4.045 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.81  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.35  percent
    Total to Air:               99.44  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      0.434           1.8e+003     1000       
   Sediment  0.131           8.1e+003     0          
     Persistence Time: 165 hr




                    

Click to predict properties on the Chemicalize site






Advertisement