ChemSpider 2D Image | 2-{[(2-Methylbutyl)sulfanyl]methyl}-2-propyl-1-pentanethiol | C14H30S2

2-{[(2-Methylbutyl)sulfanyl]methyl}-2-propyl-1-pentanethiol

  • Molecular FormulaC14H30S2
  • Average mass262.518 Da
  • Monoisotopic mass262.178894 Da
  • ChemSpider ID56044701

More details:

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

1-Pentanethiol, 2-[[(2-methylbutyl)thio]methyl]-2-propyl- [ACD/Index Name]
2-{[(2-Methylbutyl)sulfanyl]methyl}-2-propyl-1-pentanethiol [ACD/IUPAC Name]
2-{[(2-Méthylbutyl)sulfanyl]méthyl}-2-propyl-1-pentanethiol [French] [ACD/IUPAC Name]
2-{[(2-Methylbutyl)sulfanyl]methyl}-2-propyl-1-pentanthiol [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: 339.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 159.1±23.2 °C
Index of Refraction: 1.486
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33576.45
ACD/KOC (pH 5.5): 60439.06
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33532.46
ACD/KOC (pH 7.4): 60359.88
Polar Surface Area: 64 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 31.8±3.0 dyne/cm
Molar Volume: 288.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement