ChemSpider 2D Image | 1-Cyclopentyl-1-butanethiol | C9H18S

1-Cyclopentyl-1-butanethiol

  • Molecular FormulaC9H18S
  • Average mass158.304 Da
  • Monoisotopic mass158.112915 Da
  • ChemSpider ID61465939

More details:

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

1-Cyclopentyl-1-butanethiol [ACD/IUPAC Name]
1-Cyclopentyl-1-butanethiol [French] [ACD/IUPAC Name]
1-Cyclopentyl-1-butanthiol [German] [ACD/IUPAC Name]
Cyclopentanemethanethiol, α-propyl- [ACD/Index Name]
1934546-69-6 [RN]
1-cyclopentylbutane-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: 219.9±9.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.8±3.0 kJ/mol
Flash Point: 86.5±8.9 °C
Index of Refraction: 1.489
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 473.30
ACD/KOC (pH 5.5): 2860.64
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 473.15
ACD/KOC (pH 7.4): 2859.76
Polar Surface Area: 39 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 171.4±3.0 cm3

Click to predict properties on the Chemicalize site


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