ChemSpider 2D Image | 2-{[(3-Methoxycyclohexyl)oxy]methyl}-2-propyl-1-pentanethiol | C16H32O2S

2-{[(3-Methoxycyclohexyl)oxy]methyl}-2-propyl-1-pentanethiol

  • Molecular FormulaC16H32O2S
  • Average mass288.489 Da
  • Monoisotopic mass288.212311 Da
  • ChemSpider ID35590610

More details:

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

1-Pentanethiol, 2-[[(3-methoxycyclohexyl)oxy]methyl]-2-propyl- [ACD/Index Name]
2-{[(3-Methoxycyclohexyl)oxy]methyl}-2-propyl-1-pentanethiol [ACD/IUPAC Name]
2-{[(3-Méthoxycyclohexyl)oxy]méthyl}-2-propyl-1-pentanethiol [French] [ACD/IUPAC Name]
2-{[(3-Methoxycyclohexyl)oxy]methyl}-2-propyl-1-pentanthiol [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 368.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 176.5±26.5 °C
Index of Refraction: 1.478
Molar Refractivity: 85.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3092.89
ACD/KOC (pH 5.5): 10964.67
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3088.26
ACD/KOC (pH 7.4): 10948.25
Polar Surface Area: 57 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 33.7±5.0 dyne/cm
Molar Volume: 301.9±5.0 cm3

Click to predict properties on the Chemicalize site


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