Found 1 result

Search term: USEQXNGDJGPZOP-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2-Ethoxy-1-naphthyl)methanol | C13H14O2

(2-Ethoxy-1-naphthyl)methanol

  • Molecular FormulaC13H14O2
  • Average mass202.249 Da
  • Monoisotopic mass202.099380 Da
  • ChemSpider ID784002

More details:

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

(2-Ethoxy-1-naphthyl)methanol [ACD/IUPAC Name]
(2-Ethoxy-1-naphthyl)methanol [German] [ACD/IUPAC Name]
(2-Éthoxy-1-naphtyl)méthanol [French] [ACD/IUPAC Name]
(2-ethoxynaphthalen-1-yl)methanol
1-Naphthalenemethanol, 2-ethoxy- [ACD/Index Name]
690963-44-1 [RN]
(2-Ethoxy-naphthalen-1-yl)methanol
1-Naphthalenemethanol, 2-ethoxy- (9CI)
1-Naphthalenemethanol,2-ethoxy-
2-Ethoxy-1-naphthalenemethanol
More...

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

ZINC00473728 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 358.9±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.8±3.0 kJ/mol
    Flash Point: 165.4±15.2 °C
    Index of Refraction: 1.612
    Molar Refractivity: 61.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.71
    ACD/LogD (pH 5.5): 2.63
    ACD/BCF (pH 5.5): 59.20
    ACD/KOC (pH 5.5): 646.03
    ACD/LogD (pH 7.4): 2.63
    ACD/BCF (pH 7.4): 59.20
    ACD/KOC (pH 7.4): 646.03
    Polar Surface Area: 29 Å2
    Polarizability: 24.5±0.5 10-24cm3
    Surface Tension: 45.2±3.0 dyne/cm
    Molar Volume: 177.9±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) =  2.82

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  347.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  103.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.05E-006  (Modified Grain method)
    Subcooled liquid VP: 6.07E-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):  534.8
       log Kow used: 2.82 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  146.34 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.67E-009  atm-m3/mole
   Group Method:   3.54E-009  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.225E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.82  (KowWin est)
  Log Kaw used:  -7.166  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.986
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9419
   Biowin2 (Non-Linear Model)     :   0.9708
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8541  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7625  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5102
   Biowin6 (MITI Non-Linear Model):   0.5147
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5134
 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):  0.000809 Pa (6.07E-006 mm Hg)
  Log Koa (Koawin est  ): 9.986
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00371 
       Octanol/air (Koa) model:  0.00238 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.118 
       Mackay model           :  0.229 
       Octanol/air (Koa) model:  0.16 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 125.6614 E-12 cm3/molecule-sec
      Half-Life =     0.085 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.021 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.173 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  237.9
      Log Koc:  2.376 

 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 = 0.824 (BCF = 6.67)
       log Kow used: 2.82 (estimated)

 Volatilization from Water:
    Henry LC:  3.54E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.352E+005  hours   (9801 days)
    Half-Life from Model Lake : 2.566E+006  hours   (1.069E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               4.42  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.31  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       0.0531          2.04         1000       
   Water     19.5            360          1000       
   Soil      80.2            720          1000       
   Sediment  0.235           3.24e+003    0          
     Persistence Time: 654 hr

    Click to predict properties on the Chemicalize site


    Advertisement