ChemSpider 2D Image | cis-methyl 4-hydroxymethylcyclohexanecarboxylate | C9H16O3

cis-methyl 4-hydroxymethylcyclohexanecarboxylate

  • Molecular FormulaC9H16O3
  • Average mass172.221 Da
  • Monoisotopic mass172.109940 Da
  • ChemSpider ID21397155

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

110928-45-5 [RN]
cis-4-(Hydroxyméthyl)cyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
cis-methyl 4-hydroxymethylcyclohexanecarboxylate
Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, methyl ester, cis- [ACD/Index Name]
Methyl cis-4-(hydroxymethyl)cyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-cis-4-(hydroxymethyl)cyclohexancarboxylat [German] [ACD/IUPAC Name]
(1r,4r)-methyl 4-(hydroxymethyl)cyclohexanecarboxylate
[110928-45-5] [RN]
110928-44-4 [RN]
13380-85-3 [RN]
More...

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

M86577ODUE [DBID]
UNII:M86577ODUE [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 250.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.7±6.0 kJ/mol
Flash Point: 99.8±12.6 °C
Index of Refraction: 1.464
Molar Refractivity: 44.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.73
ACD/KOC (pH 5.5): 164.10
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.73
ACD/KOC (pH 7.4): 164.10
Polar Surface Area: 47 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 162.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement