ChemSpider 2D Image | Methyl cis-4-formylcyclohexanecarboxylate | C9H14O3

Methyl cis-4-formylcyclohexanecarboxylate

  • Molecular FormulaC9H14O3
  • Average mass170.206 Da
  • Monoisotopic mass170.094299 Da
  • ChemSpider ID61496554

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

cis-4-Formylcyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-formyl-, methyl ester, cis- [ACD/Index Name]
Methyl cis-4-formylcyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-cis-4-formylcyclohexancarboxylat [German] [ACD/IUPAC Name]
(1r,4r)-methyl 4-formylcyclohexanecarboxylate
121317-96-2 [RN]
37942-76-0 [RN]
54274-80-5 [RN]
methyl (1s,4s)-4-formylcyclohexane-1-carboxylate
methyl 4-formylcyclohexane-1-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 236.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.3±3.0 kJ/mol
Flash Point: 96.8±25.4 °C
Index of Refraction: 1.512
Molar Refractivity: 45.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.16
ACD/KOC (pH 5.5): 127.89
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.16
ACD/KOC (pH 7.4): 127.89
Polar Surface Area: 43 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 150.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement