Found 77 results

Search term: MF = 'C_{15}H_{10}F_{6}O'
ChemSpider 2D Image | [3-(Trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]methanol | C15H10F6O

[3-(Trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]methanol

  • Molecular FormulaC15H10F6O
  • Average mass320.230 Da
  • Monoisotopic mass320.063599 Da
  • ChemSpider ID2017792

More details:

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

[3-(Trifluormethyl)phenyl][4-(trifluormethyl)phenyl]methanol [German] [ACD/IUPAC Name]
[3-(Trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]methanol [ACD/IUPAC Name]
[3-(Trifluorométhyl)phényl][4-(trifluorométhyl)phényl]méthanol [French] [ACD/IUPAC Name]
203915-48-4 [RN]
Benzenemethanol, 3-(trifluoromethyl)-α-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
(3-(Trifluoromethyl)phenyl)(4-(trifluoromethyl)phenyl)methanol
[203915-48-4] [RN]
[3-(Trifluoromethyl)phenyl](4-trifluoromethylphenyl)methanol
[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanol
3,4'-bis-(Trifluoromethyl)benzhydrol
More...

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

MFCD00045091 [DBID]
  • Miscellaneous

    • Safety:

      26-37 Alfa Aesar H31629
      36/38 Alfa Aesar H31629
      H315-H319 Alfa Aesar H31629
      P280-P305+P351+P338-P362-P321-P332+P313-P337+P313 Alfa Aesar H31629
      Warning Alfa Aesar H31629
      WARNING: Irritates lungs, eyes, skin Alfa Aesar H31629

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

Density: 1.4±0.1 g/cm3
Boiling Point: 323.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 149.6±26.5 °C
Index of Refraction: 1.485
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 929.68
ACD/KOC (pH 5.5): 4638.04
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 929.68
ACD/KOC (pH 7.4): 4638.02
Polar Surface Area: 20 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 30.1±3.0 dyne/cm
Molar Volume: 234.1±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) =  4.64

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  319.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  88.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.25E-006  (Modified Grain method)
    Subcooled liquid VP: 3.73E-005 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.32
       log Kow used: 4.64 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.20453 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Benzyl Alcohols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.33E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.174E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.64  (KowWin est)
  Log Kaw used:  -4.265  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.905
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2870
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6255  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.9664  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0808
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2385
 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):  0.00497 Pa (3.73E-005 mm Hg)
  Log Koa (Koawin est  ): 8.905
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000603 
       Octanol/air (Koa) model:  0.000197 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0213 
       Mackay model           :  0.046 
       Octanol/air (Koa) model:  0.0155 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.5599 E-12 cm3/molecule-sec
      Half-Life =     1.250 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.995 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0337 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.936E+004
      Log Koc:  4.468 

 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 = 2.220 (BCF = 165.8)
       log Kow used: 4.64 (estimated)

 Volatilization from Water:
    Henry LC:  1.33E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      789.6  hours   (32.9 days)
    Half-Life from Model Lake :       8764  hours   (365.2 days)

 Removal In Wastewater Treatment:
    Total removal:              63.16  percent
    Total biodegradation:        0.57  percent
    Total sludge adsorption:    62.56  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.177           30           1000       
   Water     5.21            4.32e+003    1000       
   Soil      83.5            8.64e+003    1000       
   Sediment  11.1            3.89e+004    0          
     Persistence Time: 5.26e+003 hr

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