ChemSpider 2D Image | Methyl (1S)-1-methyl-3-cyclohexene-1-carboxylate | C9H14O2

Methyl (1S)-1-methyl-3-cyclohexene-1-carboxylate

  • Molecular FormulaC9H14O2
  • Average mass154.206 Da
  • Monoisotopic mass154.099380 Da
  • ChemSpider ID24203647

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-Méthyl-3-cyclohexène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
357418-53-2 [RN]
3-Cyclohexene-1-carboxylic acid, 1-methyl-, methyl ester, (1S)- [ACD/Index Name]
Methyl (1S)-1-methyl-3-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Methyl-(1S)-1-methyl-3-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
(S)-methyl 1-methylcyclohex-3-enecarboxylate
3-Cyclohexene-1-carboxylic acid, 1-methyl-, methyl ester, (1S)- (9CI)
3-Cyclohexene-1-carboxylicacid,1-methyl-,methylester,(1S)-(9CI)
METHYL (1S)-1-METHYLCYCLOHEX-3-ENE-1-CARBOXYLATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 183.2±19.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.9±3.0 kJ/mol
Flash Point: 54.7±9.0 °C
Index of Refraction: 1.462
Molar Refractivity: 42.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.81
ACD/KOC (pH 5.5): 395.30
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.81
ACD/KOC (pH 7.4): 395.30
Polar Surface Area: 26 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 155.8±3.0 cm3

Click to predict properties on the Chemicalize site


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