ChemSpider 2D Image | 2-[(3-Methylbenzyl)sulfanyl]-4-propylcyclohexanecarboxylic acid | C18H26O2S

2-[(3-Methylbenzyl)sulfanyl]-4-propylcyclohexanecarboxylic acid

  • Molecular FormulaC18H26O2S
  • Average mass306.463 Da
  • Monoisotopic mass306.165344 Da
  • ChemSpider ID43144226

More details:

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

2-[(3-Methylbenzyl)sulfanyl]-4-propylcyclohexancarbonsäure [German] [ACD/IUPAC Name]
2-[(3-Methylbenzyl)sulfanyl]-4-propylcyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 2-[(3-méthylbenzyl)sulfanyl]-4-propylcyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-[[(3-methylphenyl)methyl]thio]-4-propyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 459.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 231.4±27.3 °C
Index of Refraction: 1.560
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 615.12
ACD/KOC (pH 5.5): 1748.49
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 9.69
ACD/KOC (pH 7.4): 27.55
Polar Surface Area: 63 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 277.7±5.0 cm3

Click to predict properties on the Chemicalize site


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