ChemSpider 2D Image | P-(1-METHYL-2,2-DIPHENYLVINYL)ANISOLE | C22H20O

P-(1-METHYL-2,2-DIPHENYLVINYL)ANISOLE

  • Molecular FormulaC22H20O
  • Average mass300.394 Da
  • Monoisotopic mass300.151428 Da
  • ChemSpider ID223439

More details:






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

1-(1,1-Diphenyl-1-propen-2-yl)-4-methoxybenzene [ACD/IUPAC Name]
1-(1,1-Diphényl-1-propén-2-yl)-4-méthoxybenzène [French] [ACD/IUPAC Name]
1-(1,1-Diphenyl-1-propen-2-yl)-4-methoxybenzol [German] [ACD/IUPAC Name]
1,1-diphenyl-2-(4-methoxyphenyl)propene
13560-37-7 [RN]
Benzene, 1-methoxy-4-(1-methyl-2,2-diphenylethenyl)- [ACD/Index Name]
P-(1-METHYL-2,2-DIPHENYLVINYL)ANISOLE
1-[1,1-di(phenyl)prop-1-en-2-yl]-4-methoxybenzene
1-[1,1-di(phenyl)prop-1-en-2-yl]-4-methoxy-benzene
1574-34-1 [RN]
More...

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

VY57A259PK [DBID]
C15179 [DBID]
NSC79611 [DBID]
UNII:VY57A259PK [DBID]
UNII-VY57A259PK [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 414.0±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 168.2±9.4 °C
Index of Refraction: 1.599
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.49
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 37992.69
ACD/KOC (pH 5.5): 66028.69
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 37992.69
ACD/KOC (pH 7.4): 66028.69
Polar Surface Area: 9 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 283.0±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) =  6.11

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  410.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  135.79  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.54E-007  (Modified Grain method)
    Subcooled liquid VP: 4.61E-006 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):  0.07332
       log Kow used: 6.11 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.018473 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.14E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.908E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.11  (KowWin est)
  Log Kaw used:  -4.677  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.787
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9926
   Biowin2 (Non-Linear Model)     :   0.9899
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5212  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5012  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1295
   Biowin6 (MITI Non-Linear Model):   0.0430
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0447
 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):  0.000615 Pa (4.61E-006 mm Hg)
  Log Koa (Koawin est  ): 10.787
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00488 
       Octanol/air (Koa) model:  0.015 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.15 
       Mackay model           :  0.281 
       Octanol/air (Koa) model:  0.546 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 134.8491 E-12 cm3/molecule-sec
      Half-Life =     0.079 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.952 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =  1965.599854 E-17 cm3/molecule-sec
      Half-Life =     0.001 Days (at 7E11 mol/cm3)
      Half-Life =      0.840 Min
   Fraction sorbed to airborne particulates (phi): 0.215 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  9.649E+005
      Log Koc:  5.984 

 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 = 4.008 (BCF = 1.018e+004)
       log Kow used: 6.11 (estimated)

 Volatilization from Water:
    Henry LC:  5.14E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1976  hours   (82.33 days)
    Half-Life from Model Lake :  2.17E+004  hours   (904.2 days)

 Removal In Wastewater Treatment:
    Total removal:              92.57  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.80  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.000262        0.0139       1000       
   Water     3.67            900          1000       
   Soil      34              1.8e+003     1000       
   Sediment  62.4            8.1e+003     0          
     Persistence Time: 2.55e+003 hr




                    

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