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

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

  • Molecular FormulaC19H30OS
  • Average mass306.506 Da
  • Monoisotopic mass306.201721 Da
  • ChemSpider ID35586912

More details:

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

(1-{[2-(2-Methyl-2-propanyl)phenoxy]methyl}cycloheptyl)methanethiol [ACD/IUPAC Name]
(1-{[2-(2-Méthyl-2-propanyl)phénoxy]méthyl}cycloheptyl)méthanethiol [French] [ACD/IUPAC Name]
(1-{[2-(2-Methyl-2-propanyl)phenoxy]methyl}cycloheptyl)methanthiol [German] [ACD/IUPAC Name]
Cycloheptanemethanethiol, 1-[[2-(1,1-dimethylethyl)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: 417.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 206.5±24.0 °C
Index of Refraction: 1.511
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 58057.37
ACD/KOC (pH 5.5): 89443.55
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 57991.63
ACD/KOC (pH 7.4): 89342.27
Polar Surface Area: 48 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 313.9±3.0 cm3

Click to predict properties on the Chemicalize site


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