ChemSpider 2D Image | 1-(~2~H_11_)Pentanethiol | C5HD11S

1-(2H11)Pentanethiol

  • Molecular FormulaC5HD11S
  • Average mass115.282 Da
  • Monoisotopic mass115.135017 Da
  • ChemSpider ID60498086

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2H11)Pentanethiol [ACD/IUPAC Name]
1-(2H11)Pentanethiol [French] [ACD/IUPAC Name]
1-(2H11)Pentanthiol [German] [ACD/IUPAC Name]
1-Pentane-d11-thiol [ACD/Index Name]
1-Pentane-d11-thiol

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

Density: 0.8±0.1 g/cm3
Boiling Point: 126.3±3.0 °C at 760 mmHg
Vapour Pressure: 14.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.9±3.0 kJ/mol
Flash Point: 18.3±0.0 °C
Index of Refraction: 1.442
Molar Refractivity: 33.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.11
ACD/KOC (pH 5.5): 1084.69
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.02
ACD/KOC (pH 7.4): 1083.85
Polar Surface Area: 39 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 26.2±3.0 dyne/cm
Molar Volume: 125.1±3.0 cm3

Click to predict properties on the Chemicalize site


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