ChemSpider 2D Image | 9-(Pentylsulfanyl)-1-nonanethiol | C14H30S2

9-(Pentylsulfanyl)-1-nonanethiol

  • Molecular FormulaC14H30S2
  • Average mass262.518 Da
  • Monoisotopic mass262.178894 Da
  • ChemSpider ID56044646

More details:

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

1-Nonanethiol, 9-(pentylthio)- [ACD/Index Name]
9-(Pentylsulfanyl)-1-nonanethiol [ACD/IUPAC Name]
9-(Pentylsulfanyl)-1-nonanethiol [French] [ACD/IUPAC Name]
9-(Pentylsulfanyl)-1-nonanthiol [German] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 355.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 168.9±20.4 °C
Index of Refraction: 1.488
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 6.83
ACD/BCF (pH 5.5): 91817.70
ACD/KOC (pH 5.5): 124176.91
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 91744.34
ACD/KOC (pH 7.4): 124077.70
Polar Surface Area: 64 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 287.6±3.0 cm3

Click to predict properties on the Chemicalize site


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