ChemSpider 2D Image | 1-Dodecane(~2~H)thiol | C12H25DS

1-Dodecane(2H)thiol

  • Molecular FormulaC12H25DS
  • Average mass203.406 Da
  • Monoisotopic mass203.181793 Da
  • ChemSpider ID9249630

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Dodecan(2H)thiol [German] [ACD/IUPAC Name]
1-Dodecane(2H)thiol [ACD/IUPAC Name]
1-Dodécane(2H)thiol [French] [ACD/IUPAC Name]
1-Dodecanethiol-d [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 275.3±3.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.3±3.0 kJ/mol
Flash Point: 87.8±0.0 °C
Index of Refraction: 1.457
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30306.81
ACD/KOC (pH 5.5): 56165.52
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30282.73
ACD/KOC (pH 7.4): 56120.89
Polar Surface Area: 39 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 29.6±3.0 dyne/cm
Molar Volume: 240.7±3.0 cm3

Click to predict properties on the Chemicalize site


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