ChemSpider 2D Image | Ethyl [(2-hydroxycyclohexyl)sulfanyl]acetate | C10H18O3S

Ethyl [(2-hydroxycyclohexyl)sulfanyl]acetate

  • Molecular FormulaC10H18O3S
  • Average mass218.313 Da
  • Monoisotopic mass218.097672 Da
  • ChemSpider ID28595694

More details:

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

[(2-Hydroxycyclohexyl)sulfanyl]acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(2-hydroxycyclohexyl)thio]-, ethyl ester [ACD/Index Name]
Ethyl [(2-hydroxycyclohexyl)sulfanyl]acetate [ACD/IUPAC Name]
Ethyl-[(2-hydroxycyclohexyl)sulfanyl]acetat [German] [ACD/IUPAC Name]
659727-37-4 [RN]
ACETIC ACID, [(2-HYDROXYCYCLOHEXYL)THIO]-, ETHYL ESTER, TRANS-
ACETIC ACID, [[(2S)-2-HYDROXYCYCLOHEXYL]THIO]-, ETHYL ESTER

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

Density: 1.1±0.1 g/cm3
Boiling Point: 330.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.3±6.0 kJ/mol
Flash Point: 153.4±26.5 °C
Index of Refraction: 1.514
Molar Refractivity: 57.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.58
ACD/KOC (pH 5.5): 281.83
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.58
ACD/KOC (pH 7.4): 281.83
Polar Surface Area: 72 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 191.5±5.0 cm3

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