ChemSpider 2D Image | trans-4-Hydroxycyclohexylacetic acid | C8H14O3

trans-4-Hydroxycyclohexylacetic acid

  • Molecular FormulaC8H14O3
  • Average mass158.195 Da
  • Monoisotopic mass158.094299 Da
  • ChemSpider ID17216021
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

trans-4-Hydroxycyclohexylacetic acid
(trans-4-Hydroxycyclohexyl)acetic acid [ACD/IUPAC Name]
(trans-4-Hydroxycyclohexyl)essigsäure [German] [ACD/IUPAC Name]
68592-23-4 [RN]
Acide (trans-4-hydroxycyclohexyl)acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 4-hydroxy-, trans- [ACD/Index Name]
4-hydroxy-cyclohexyl Acetic acid ester
trans-4-Hydroxycyclohexylacetate
[(1r,4r)-4-hydroxycyclohexyl]acetic acid
2-[(1r,4r)-4-hydroxycyclohexyl]acetic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 326.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.9±6.0 kJ/mol
Flash Point: 165.4±16.9 °C
Index of Refraction: 1.504
Molar Refractivity: 40.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.70
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 135.6±3.0 cm3

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