ChemSpider 2D Image | (2Z)-2-Octen-1-yl butyrate | C12H22O2

(2Z)-2-Octen-1-yl butyrate

  • Molecular FormulaC12H22O2
  • Average mass198.302 Da
  • Monoisotopic mass198.161987 Da
  • ChemSpider ID30777232

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Octen-1-yl butyrate [ACD/IUPAC Name]
(2Z)-2-Octen-1-ylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, (2Z)-2-octen-1-yl ester [ACD/Index Name]
Butyrate de (2Z)-2-octén-1-yle [French] [ACD/IUPAC Name]
(2Z)-oct-2-en-1-yl butanoate
(E)-2-Octenyl butanoate
(E)-Oct-2-enyl butyrate [ACD/IUPAC Name]
2-Octenyl butyrate
2-Octenyl ester(E)-Butanoic acid
84642-60-4 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 256.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.3±3.0 kJ/mol
Flash Point: 86.5±17.1 °C
Index of Refraction: 1.444
Molar Refractivity: 59.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1167.85
ACD/KOC (pH 5.5): 5460.53
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1167.85
ACD/KOC (pH 7.4): 5460.53
Polar Surface Area: 26 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 29.5±3.0 dyne/cm
Molar Volume: 223.7±3.0 cm3

Click to predict properties on the Chemicalize site


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