ChemSpider 2D Image | Octyl 6-[(4-methylphenyl)sulfanyl]bicyclo[2.2.1]heptane-2-carboxylate | C23H34O2S

Octyl 6-[(4-methylphenyl)sulfanyl]bicyclo[2.2.1]heptane-2-carboxylate

  • Molecular FormulaC23H34O2S
  • Average mass374.580 Da
  • Monoisotopic mass374.227936 Da
  • ChemSpider ID57520685

More details:

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

6-[(4-Méthylphényl)sulfanyl]bicyclo[2.2.1]heptane-2-carboxylate d'octyle [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-2-carboxylic acid, 6-[(4-methylphenyl)thio]-, octyl ester [ACD/Index Name]
Octyl 6-[(4-methylphenyl)sulfanyl]bicyclo[2.2.1]heptane-2-carboxylate [ACD/IUPAC Name]
Octyl-6-[(4-methylphenyl)sulfanyl]bicyclo[2.2.1]heptan-2-carboxylat [German] [ACD/IUPAC 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: 474.6±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 219.8±12.0 °C
Index of Refraction: 1.549
Molar Refractivity: 111.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 7.75
ACD/BCF (pH 5.5): 456203.59
ACD/KOC (pH 5.5): 391198.97
ACD/LogD (pH 7.4): 7.75
ACD/BCF (pH 7.4): 456203.59
ACD/KOC (pH 7.4): 391198.97
Polar Surface Area: 52 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 349.3±5.0 cm3

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