ChemSpider 2D Image | 2,6-Dimethyl-4-heptanethiol | C9H20S

2,6-Dimethyl-4-heptanethiol

  • Molecular FormulaC9H20S
  • Average mass160.320 Da
  • Monoisotopic mass160.128571 Da
  • ChemSpider ID65329537

More details:

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

2,6-Dimethyl-4-heptanethiol [ACD/IUPAC Name]
2,6-Diméthyl-4-heptanethiol [French] [ACD/IUPAC Name]
2,6-Dimethyl-4-heptanthiol [German] [ACD/IUPAC Name]
4-Heptanethiol, 2,6-dimethyl- [ACD/Index Name]
2,6-dimethylheptane-4-thiol
740043-78-1 [RN]
MFCD29980446

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

Density: 0.8±0.1 g/cm3
Boiling Point: 193.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.2±3.0 kJ/mol
Flash Point: 58.3±18.6 °C
Index of Refraction: 1.448
Molar Refractivity: 51.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1199.67
ACD/KOC (pH 5.5): 5566.62
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1199.12
ACD/KOC (pH 7.4): 5564.06
Polar Surface Area: 39 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 26.0±3.0 dyne/cm
Molar Volume: 192.3±3.0 cm3

Click to predict properties on the Chemicalize site


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