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Search term: OSEIVOVZCSBRQO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (E)-2-decen-4-yn-1-ol | C10H16O

(E)-2-decen-4-yn-1-ol

  • Molecular FormulaC10H16O
  • Average mass152.233 Da
  • Monoisotopic mass152.120117 Da
  • ChemSpider ID4941072

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Decen-4-in-1-ol [German] [ACD/IUPAC Name]
(2E)-2-Decen-4-yn-1-ol [ACD/IUPAC Name]
(2E)-2-Décén-4-yn-1-ol [French] [ACD/IUPAC Name]
(2E)-Dec-2-en-4-yn-1-ol
(E)-2-decen-4-yn-1-ol
16195-87-2 [RN]
240-325-7 [EINECS]
2-Decen-4-yn-1-ol, (2E)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 261.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.9±6.0 kJ/mol
Flash Point: 116.0±15.6 °C
Index of Refraction: 1.483
Molar Refractivity: 48.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.34
ACD/KOC (pH 5.5): 867.31
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.34
ACD/KOC (pH 7.4): 867.31
Polar Surface Area: 20 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 168.0±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) =  2.86

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  256.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  54.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00111  (Modified Grain method)
    Subcooled liquid VP: 0.00207 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):  871.3
       log Kow used: 2.86 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  538.95 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.30E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.552E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.86  (KowWin est)
  Log Kaw used:  -4.027  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.887
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9422
   Biowin2 (Non-Linear Model)     :   0.9783
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3211  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0266  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6802
   Biowin6 (MITI Non-Linear Model):   0.7956
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5545
 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):  0.276 Pa (0.00207 mm Hg)
  Log Koa (Koawin est  ): 6.887
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.09E-005 
       Octanol/air (Koa) model:  1.89E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000392 
       Mackay model           :  0.000869 
       Octanol/air (Koa) model:  0.000151 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 104.9700 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 114.8500 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.223 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.118 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.571750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.140500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.004 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.005 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 0.000631 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  96.17
      Log Koc:  1.983 

 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 = 1.500 (BCF = 31.63)
       log Kow used: 2.86 (estimated)

 Volatilization from Water:
    Henry LC:  2.3E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      315.3  hours   (13.14 days)
    Half-Life from Model Lake :       3544  hours   (147.7 days)

 Removal In Wastewater Treatment:
    Total removal:               4.78  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.54  percent
    Total to Air:                0.13  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.394           2.33         1000       
   Water     28.3            208          1000       
   Soil      71              416          1000       
   Sediment  0.286           1.87e+003    0          
     Persistence Time: 276 hr

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