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

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

  • Molecular FormulaC19H30OS
  • Average mass306.506 Da
  • Monoisotopic mass306.201721 Da
  • ChemSpider ID35589410

More details:

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

(1-{[2-Methyl-4-(2-methyl-2-propanyl)phenoxy]methyl}cyclohexyl)methanethiol [ACD/IUPAC Name]
(1-{[2-Méthyl-4-(2-méthyl-2-propanyl)phénoxy]méthyl}cyclohexyl)méthanethiol [French] [ACD/IUPAC Name]
(1-{[2-Methyl-4-(2-methyl-2-propanyl)phenoxy]methyl}cyclohexyl)methanthiol [German] [ACD/IUPAC Name]
Cyclohexanemethanethiol, 1-[[4-(1,1-dimethylethyl)-2-methylphenoxy]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: 406.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 199.8±25.4 °C
Index of Refraction: 1.516
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 61009.24
ACD/KOC (pH 5.5): 92675.66
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 60940.15
ACD/KOC (pH 7.4): 92570.70
Polar Surface Area: 48 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 312.4±3.0 cm3

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