ChemSpider 2D Image | 3,7,11-Trimethyl-1,6,10-dodecatriene-3-thiol | C15H26S

3,7,11-Trimethyl-1,6,10-dodecatriene-3-thiol

  • Molecular FormulaC15H26S
  • Average mass238.432 Da
  • Monoisotopic mass238.175522 Da
  • ChemSpider ID57561171

More details:

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

1,6,10-Dodecatriene-3-thiol, 3,7,11-trimethyl- [ACD/Index Name]
3,7,11-Trimethyl-1,6,10-dodecatrien-3-thiol [German] [ACD/IUPAC Name]
3,7,11-Trimethyl-1,6,10-dodecatriene-3-thiol [ACD/IUPAC Name]
3,7,11-Triméthyl-1,6,10-dodécatriène-3-thiol [French] [ACD/IUPAC Name]
3,7,11-TRIMETHYLDODECA-1,6,10-TRIENE-3-THIOL
61758-04-1 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 319.9±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 130.0±15.0 °C
Index of Refraction: 1.492
Molar Refractivity: 78.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 24944.79
ACD/KOC (pH 5.5): 48858.76
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 24929.18
ACD/KOC (pH 7.4): 48828.19
Polar Surface Area: 39 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 29.0±3.0 dyne/cm
Molar Volume: 272.2±3.0 cm3

Click to predict properties on the Chemicalize site


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