ChemSpider 2D Image | Ethyl (1R,3S)-3-hydroxycyclohexanecarboxylate | C9H16O3

Ethyl (1R,3S)-3-hydroxycyclohexanecarboxylate

  • Molecular FormulaC9H16O3
  • Average mass172.221 Da
  • Monoisotopic mass172.109940 Da
  • ChemSpider ID32789945

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-3-Hydroxycyclohexanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
1821824-32-1 [RN]
Cyclohexanecarboxylic acid, 3-hydroxy-, ethyl ester, (1R,3S)- [ACD/Index Name]
Ethyl (1R,3S)-3-hydroxycyclohexanecarboxylate [ACD/IUPAC Name]
Ethyl-(1R,3S)-3-hydroxycyclohexancarboxylat [German] [ACD/IUPAC Name]
(1R,3S)-Ethyl 3-hydroxycyclohexanecarboxylate
1680213-12-0 [RN]
94160-25-5 [RN]
hydroxy-3 cyclohexane carboxylate d'ethyle
MFCD31925499

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

Density: 1.1±0.1 g/cm3
Boiling Point: 251.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.8±6.0 kJ/mol
Flash Point: 100.2±18.2 °C
Index of Refraction: 1.481
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: 1.02
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.31
ACD/KOC (pH 5.5): 130.08
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.31
ACD/KOC (pH 7.4): 130.08
Polar Surface Area: 47 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 157.6±3.0 cm3

Click to predict properties on the Chemicalize site


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