ChemSpider 2D Image | 2-Cycloheptylethanethiol | C9H18S

2-Cycloheptylethanethiol

  • Molecular FormulaC9H18S
  • Average mass158.304 Da
  • Monoisotopic mass158.112915 Da
  • ChemSpider ID61192956

More details:

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

2-Cycloheptylethanethiol [ACD/IUPAC Name]
2-Cycloheptyléthanethiol [French] [ACD/IUPAC Name]
2-Cycloheptylethanthiol [German] [ACD/IUPAC Name]
Cycloheptaneethanethiol [ACD/Index Name]
1936367-33-7 [RN]
2-cycloheptylethane-1-thiol
MFCD32013522

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

Density: 0.9±0.1 g/cm3
Boiling Point: 230.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.8±3.0 kJ/mol
Flash Point: 91.2±8.9 °C
Index of Refraction: 1.475
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 649.15
ACD/KOC (pH 5.5): 3586.55
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 648.56
ACD/KOC (pH 7.4): 3583.30
Polar Surface Area: 39 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 175.8±3.0 cm3

Click to predict properties on the Chemicalize site


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