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Search term: NHOGGUYTANYCGQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | MFCD00081208 | C8H8O

MFCD00081208

  • Molecular FormulaC8H8O
  • Average mass120.148 Da
  • Monoisotopic mass120.057518 Da
  • ChemSpider ID63037

More details:

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

(Ethenyloxy)benzene
(Vinyloxy)benzene [ACD/IUPAC Name]
(Vinyloxy)benzène [French] [ACD/IUPAC Name]
(Vinyloxy)benzol [German] [ACD/IUPAC Name]
766-94-9 [RN]
Benzene, (ethenyloxy)- [ACD/Index Name]
ethenoxybenzene
Ether, phenyl vinyl
MFCD00081208
PHENOXYETHYLENE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 155.6±9.0 °C at 760 mmHg
Vapour Pressure: 3.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.6±3.0 kJ/mol
Flash Point: 38.5±14.4 °C
Index of Refraction: 1.508
Molar Refractivity: 37.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.88
ACD/KOC (pH 5.5): 512.88
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.88
ACD/KOC (pH 7.4): 512.88
Polar Surface Area: 9 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 30.0±3.0 dyne/cm
Molar Volume: 125.0±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) =  2.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  169.22  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -30.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.1  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  155.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  845.3
       log Kow used: 2.43 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  291.18 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.12E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.798E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.43  (KowWin est)
  Log Kaw used:  -1.062  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.492
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9503
   Biowin2 (Non-Linear Model)     :   0.9953
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8975  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7564  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6096
   Biowin6 (MITI Non-Linear Model):   0.7438
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5346
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  377 Pa (2.83 mm Hg)
  Log Koa (Koawin est  ): 3.492
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.95E-009 
       Octanol/air (Koa) model:  7.62E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.87E-007 
       Mackay model           :  6.36E-007 
       Octanol/air (Koa) model:  6.1E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  47.8040 E-12 cm3/molecule-sec
      Half-Life =     0.224 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.685 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.875000 E-17 cm3/molecule-sec
      Half-Life =     1.310 Days (at 7E11 mol/cm3)
      Half-Life =     31.433 Hrs
   Fraction sorbed to airborne particulates (phi): 4.62E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  217.2
      Log Koc:  2.337 

 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 = 1.170 (BCF = 14.79)
       log Kow used: 2.43 (estimated)

 Volatilization from Water:
    Henry LC:  0.00212 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.421  hours
    Half-Life from Model Lake :      107.4  hours   (4.476 days)

 Removal In Wastewater Treatment:
    Total removal:              47.24  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     1.92  percent
    Total to Air:               45.26  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.92            4.59         1000       
   Water     42.6            360          1000       
   Soil      54.2            720          1000       
   Sediment  0.266           3.24e+003    0          
     Persistence Time: 155 hr

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