ChemSpider 2D Image | (Z)-11-Tetradecen-1-ol | C14H28O

(Z)-11-Tetradecen-1-ol

  • Molecular FormulaC14H28O
  • Average mass212.372 Da
  • Monoisotopic mass212.214020 Da
  • ChemSpider ID1361512
  • Double-bond stereo - Double-bond stereo


More details:






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

(11Z)-11-Tetradecen-1-ol [ACD/IUPAC Name]
(11Z)-11-Tetradecen-1-ol [German] [ACD/IUPAC Name]
(11Z)-11-Tétradécén-1-ol [French] [ACD/IUPAC Name]
(11Z)-Tetradec-11-en-1-ol
(Z)-11-Tetradecen-1-ol
11-Tetradecen-1-ol, (11Z)- [ACD/Index Name]
11-Tetradecen-1-ol, (Z)-
251-790-0 [EINECS]
34010-15-6 [RN]
(11Z)-tetradec-11-enol
More...

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

8KD30EOR56 [DBID]
249041_ALDRICH [DBID]
AI3-35174 [DBID]
UNII:8KD30EOR56 [DBID]
UNII-8KD30EOR56 [DBID]
  • Gas Chromatography
    • Retention Index (Kovats):

      1664 (estimated with error: 41) NIST Spectra mainlib_291650, replib_108368, replib_239095
    • Retention Index (Normal Alkane):

      1664.5 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Description: 70 0C (2 min) ^ 20 K/min -> 135 0C (38 min) ^ 20 K/min -> 140 0C; CAS no: 34010156; Active phase: CP Sil 5 CB; Carrier gas: He; Phase thickness: 0.12 um; Data type: Normal alkane RI; Authors: Cork, A.; Agyen-Sampong, M.; Fannah, S.J.; Beevor, P.S.; Hall, D.R., Sex pheromone of female African white rice stem border, Maliarpha separatella (lepidoptera: pyralidae) from Sierra Leone: identification and field testing, J. Chem. Ecol., 17(6), 1991, 1205-1219.) NIST Spectra nist ri
    • Retention Index (Linear):

      1678 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 100 C; End T: 275 C; End time: 3 min; Start time: 1 min; CAS no: 34010156; Active phase: DB-5; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Marques, F.A.; McElfresh, J.S.; Millar, J.G., Kovats retention indexes of monounsaturated C12, C14, and C16 alcohols, acetates and aldehydes commonly found in lepidopteran pheromone blends, J. Braz. Chem. Soc., 11(6), 2000, 592-599.) NIST Spectra nist ri
      2232 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 100 C; End T: 240 C; Start time: 1 min; CAS no: 34010156; Active phase: DB-Wax; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Marques, F.A.; McElfresh, J.S.; Millar, J.G., Kovats retention indexes of monounsaturated C12, C14, and C16 alcohols, acetates and aldehydes commonly found in lepidopteran pheromone blends, J. Braz. Chem. Soc., 11(6), 2000, 592-599.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 280.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.3±6.0 kJ/mol
Flash Point: 121.3±5.5 °C
Index of Refraction: 1.459
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2014.66
ACD/KOC (pH 5.5): 8067.59
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2014.66
ACD/KOC (pH 7.4): 8067.59
Polar Surface Area: 20 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 31.3±3.0 dyne/cm
Molar Volume: 250.8±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) =  5.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  308.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  39.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.98E-005  (Modified Grain method)
    Subcooled liquid VP: 8.02E-005 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):  2.282
       log Kow used: 5.54 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.6591 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.49E-004  atm-m3/mole
   Group Method:   8.10E-005  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.323E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.54  (KowWin est)
  Log Kaw used:  -2.215  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.755
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9136
   Biowin2 (Non-Linear Model)     :   0.9505
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1882  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9398  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7978
   Biowin6 (MITI Non-Linear Model):   0.9002
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7104
 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):  0.0107 Pa (8.02E-005 mm Hg)
  Log Koa (Koawin est  ): 7.755
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000281 
       Octanol/air (Koa) model:  1.4E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.01 
       Mackay model           :  0.022 
       Octanol/air (Koa) model:  0.00112 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  74.1154 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  81.7154 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.732 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.571 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 0.016 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1113
      Log Koc:  3.046 

 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 = 2.563 (BCF = 366)
       log Kow used: 5.54 (estimated)

 Volatilization from Water:
    Henry LC:  0.000149 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      7.214  hours
    Half-Life from Model Lake :      200.9  hours   (8.37 days)

 Removal In Wastewater Treatment:
    Total removal:              88.87  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    87.71  percent
    Total to Air:                0.41  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.107           1.31         1000       
   Water     11              360          1000       
   Soil      51.3            720          1000       
   Sediment  37.6            3.24e+003    0          
     Persistence Time: 675 hr




                    

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