ChemSpider 2D Image | (1-Ethoxyethoxy)benzene | C10H14O2

(1-Ethoxyethoxy)benzene

  • Molecular FormulaC10H14O2
  • Average mass166.217 Da
  • Monoisotopic mass166.099380 Da
  • ChemSpider ID86180

More details:

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

(1-Ethoxyethoxy)benzene [ACD/IUPAC Name]
(1-Éthoxyéthoxy)benzène [French] [ACD/IUPAC Name]
(1-Ethoxyethoxy)benzol [German] [ACD/IUPAC Name]
226-572-3 [EINECS]
5426-78-8 [RN]
Acetaldehyde, ethyl phenyl acetal
Acetaldehyde, ethyl phenyl acetal (8CI)
Benzene, (1-ethoxyethoxy)- [ACD/Index Name]
Acetaldehyde phenyl ethyl acetal
benzene,(1-ethoxyethoxy)-
More...

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

AI3-21892 [DBID]
NSC 14332 [DBID]
NSC14332 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 227.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.5±3.0 kJ/mol
Flash Point: 79.4±22.1 °C
Index of Refraction: 1.484
Molar Refractivity: 48.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.27
ACD/KOC (pH 5.5): 390.16
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.27
ACD/KOC (pH 7.4): 390.16
Polar Surface Area: 18 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 169.7±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) =  2.72

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  219.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -0.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.133  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  304.2
       log Kow used: 2.72 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  186.01 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.57E-006  atm-m3/mole
   Group Method:   6.43E-004  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.562E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.72  (KowWin est)
  Log Kaw used:  -3.571  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.291
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5811
   Biowin2 (Non-Linear Model)     :   0.7801
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7871  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6802  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4550
   Biowin6 (MITI Non-Linear Model):   0.4780
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1989
 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):  16.5 Pa (0.124 mm Hg)
  Log Koa (Koawin est  ): 6.291
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.81E-007 
       Octanol/air (Koa) model:  4.8E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.55E-006 
       Mackay model           :  1.45E-005 
       Octanol/air (Koa) model:  3.84E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  34.9451 E-12 cm3/molecule-sec
      Half-Life =     0.306 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.673 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.05E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  65.12
      Log Koc:  1.814 

 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 = 1.395 (BCF = 24.83)
       log Kow used: 2.72 (estimated)

 Volatilization from Water:
    Henry LC:  0.000643 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2.49  hours
    Half-Life from Model Lake :      135.3  hours   (5.636 days)

 Removal In Wastewater Treatment:
    Total removal:              24.59  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     3.28  percent
    Total to Air:               21.22  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.82            7.35         1000       
   Water     24.1            360          1000       
   Soil      73.9            720          1000       
   Sediment  0.243           3.24e+003    0          
     Persistence Time: 302 hr

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