ChemSpider 2D Image | {1-[(4-Isopropyl-3-methylphenoxy)methyl]cycloheptyl}methanethiol | C19H30OS

{1-[(4-Isopropyl-3-methylphenoxy)methyl]cycloheptyl}methanethiol

  • Molecular FormulaC19H30OS
  • Average mass306.506 Da
  • Monoisotopic mass306.201721 Da
  • ChemSpider ID35587220

More details:

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

{1-[(4-Isopropyl-3-methylphenoxy)methyl]cycloheptyl}methanethiol [ACD/IUPAC Name]
{1-[(4-Isopropyl-3-méthylphénoxy)méthyl]cycloheptyl}méthanethiol [French] [ACD/IUPAC Name]
{1-[(4-Isopropyl-3-methylphenoxy)methyl]cycloheptyl}methanthiol [German] [ACD/IUPAC Name]
Cycloheptanemethanethiol, 1-[[3-methyl-4-(1-methylethyl)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: 422.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 209.3±25.4 °C
Index of Refraction: 1.516
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 55248.93
ACD/KOC (pH 5.5): 86324.74
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55186.36
ACD/KOC (pH 7.4): 86226.98
Polar Surface Area: 48 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 313.5±3.0 cm3

Click to predict properties on the Chemicalize site


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