ChemSpider 2D Image | 1-[(2,4,4-Trimethyl-2-pentanyl)sulfanyl]octane | C16H34S

1-[(2,4,4-Trimethyl-2-pentanyl)sulfanyl]octane

  • Molecular FormulaC16H34S
  • Average mass258.506 Da
  • Monoisotopic mass258.238129 Da
  • ChemSpider ID28592747

More details:

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

1-[(2,4,4-Trimethyl-2-pentanyl)sulfanyl]octan [German] [ACD/IUPAC Name]
1-[(2,4,4-Trimethyl-2-pentanyl)sulfanyl]octane [ACD/IUPAC Name]
1-[(2,4,4-Triméthyl-2-pentanyl)sulfanyl]octane [French] [ACD/IUPAC Name]
Octane, 1-[(1,1,3,3-tetramethylbutyl)thio]- [ACD/Index Name]
1-[(2,4,4-TRIMETHYLPENTAN-2-YL)SULFANYL]OCTANE
201731-72-8 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 303.1±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.2±3.0 kJ/mol
Flash Point: 135.2±11.3 °C
Index of Refraction: 1.461
Molar Refractivity: 84.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 7.78
ACD/BCF (pH 5.5): 484092.56
ACD/KOC (pH 5.5): 408172.44
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 484092.56
ACD/KOC (pH 7.4): 408172.44
Polar Surface Area: 25 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 28.6±3.0 dyne/cm
Molar Volume: 306.7±3.0 cm3

Click to predict properties on the Chemicalize site


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