ChemSpider 2D Image | trans-carvyl-3-methylbutyrate | C15H24O2

trans-carvyl-3-methylbutyrate

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID58828112

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl 3-methylbutanoate [ACD/IUPAC Name]
(1R,5S)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de (1R,5S)-5-isopropényl-2-méthyl-2-cyclohexén-1-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, (1R,5S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl ester [ACD/Index Name]
trans-carvyl-3-methylbutyrate
CARVYL-3-METHYLBUTYRATE, TRANS-

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

07C3WI848K [DBID]
UNII:07C3WI848K [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 296.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.7±3.0 kJ/mol
Flash Point: 125.7±14.9 °C
Index of Refraction: 1.474
Molar Refractivity: 70.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2491.24
ACD/KOC (pH 5.5): 9391.81
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2491.24
ACD/KOC (pH 7.4): 9391.81
Polar Surface Area: 26 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 30.7±5.0 dyne/cm
Molar Volume: 250.7±5.0 cm3

Click to predict properties on the Chemicalize site


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