ChemSpider 2D Image | 2-Pentyne-1-thiol | C5H8S

2-Pentyne-1-thiol

  • Molecular FormulaC5H8S
  • Average mass100.182 Da
  • Monoisotopic mass100.034668 Da
  • ChemSpider ID62871183

More details:

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

2-Pentin-1-thiol [German] [ACD/IUPAC Name]
2-Pentyne-1-thiol [ACD/Index Name] [ACD/IUPAC Name]
2-Pentyne-1-thiol [French] [ACD/Index Name] [ACD/IUPAC Name]
147471-84-9 [RN]
pent-2-yne-1-thiol

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

Density: 0.9±0.1 g/cm3
Boiling Point: 144.1±23.0 °C at 760 mmHg
Vapour Pressure: 6.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 36.5±3.0 kJ/mol
Flash Point: 40.7±20.6 °C
Index of Refraction: 1.486
Molar Refractivity: 31.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.82
ACD/KOC (pH 5.5): 305.75
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.32
ACD/KOC (pH 7.4): 298.40
Polar Surface Area: 39 Å2
Polarizability: 12.3±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 108.4±3.0 cm3

Click to predict properties on the Chemicalize site


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