ChemSpider 2D Image | 9-[(3-Methyl-2-butanyl)sulfanyl]-1-nonanethiol | C14H30S2

9-[(3-Methyl-2-butanyl)sulfanyl]-1-nonanethiol

  • Molecular FormulaC14H30S2
  • Average mass262.518 Da
  • Monoisotopic mass262.178894 Da
  • ChemSpider ID56044670

More details:

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

1-Nonanethiol, 9-[(1,2-dimethylpropyl)thio]- [ACD/Index Name]
9-[(3-Methyl-2-butanyl)sulfanyl]-1-nonanethiol [ACD/IUPAC Name]
9-[(3-Méthyl-2-butanyl)sulfanyl]-1-nonanethiol [French] [ACD/IUPAC Name]
9-[(3-Methyl-2-butanyl)sulfanyl]-1-nonanthiol [German] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 346.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 163.3±20.4 °C
Index of Refraction: 1.485
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12969.68
ACD/KOC (pH 5.5): 30592.99
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12959.32
ACD/KOC (pH 7.4): 30568.55
Polar Surface Area: 64 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 288.4±3.0 cm3

Click to predict properties on the Chemicalize site


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