ChemSpider 2D Image | 1-(~2~H_33_)Hexadecanethiol | C16HD33S

1-(2H33)Hexadecanethiol

  • Molecular FormulaC16HD33S
  • Average mass291.710 Da
  • Monoisotopic mass291.445251 Da
  • ChemSpider ID24533588
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H33)Hexadecane-1-thiol
1-(2H33)Hexadecanethiol [ACD/IUPAC Name]
1-(2H33)Hexadécanethiol [French] [ACD/IUPAC Name]
1-(2H33)Hexadecanthiol [German] [ACD/IUPAC Name]
1-Hexadecane-d33-thiol [ACD/Index Name]
1-Hexadecane-d33-thiol
218956-22-0 [RN]
Cetyl mercaptan
Hexadecyl mercaptan
Palmityl mercaptan

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

Density: 0.8±0.1 g/cm3
Boiling Point: 335.2±5.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 101.7±0.0 °C
Index of Refraction: 1.460
Molar Refractivity: 84.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.69
ACD/LogD (pH 5.5): 8.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1296333.25
ACD/LogD (pH 7.4): 8.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1295300.38
Polar Surface Area: 39 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 30.5±3.0 dyne/cm
Molar Volume: 306.7±3.0 cm3

Click to predict properties on the Chemicalize site






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