ChemSpider 2D Image | (1-{[4-(2-Methyl-2-butanyl)phenoxy]methyl}cyclohexyl)methanethiol | C19H30OS

(1-{[4-(2-Methyl-2-butanyl)phenoxy]methyl}cyclohexyl)methanethiol

  • Molecular FormulaC19H30OS
  • Average mass306.506 Da
  • Monoisotopic mass306.201721 Da
  • ChemSpider ID35587324

More details:

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

(1-{[4-(2-Methyl-2-butanyl)phenoxy]methyl}cyclohexyl)methanethiol [ACD/IUPAC Name]
(1-{[4-(2-Méthyl-2-butanyl)phénoxy]méthyl}cyclohexyl)méthanethiol [French] [ACD/IUPAC Name]
(1-{[4-(2-Methyl-2-butanyl)phenoxy]methyl}cyclohexyl)methanthiol [German] [ACD/IUPAC Name]
Cyclohexanemethanethiol, 1-[[4-(1,1-dimethylpropyl)phenoxy]methyl]- [ACD/Index 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: 412.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 203.1±24.0 °C
Index of Refraction: 1.514
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 70524.20
ACD/KOC (pH 5.5): 102806.16
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 70444.33
ACD/KOC (pH 7.4): 102689.74
Polar Surface Area: 48 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 312.7±3.0 cm3

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