ChemSpider 2D Image | (1-{[4-(2,4,4-Trimethyl-2-pentanyl)phenoxy]methyl}cyclopropyl)methanethiol | C19H30OS

(1-{[4-(2,4,4-Trimethyl-2-pentanyl)phenoxy]methyl}cyclopropyl)methanethiol

  • Molecular FormulaC19H30OS
  • Average mass306.506 Da
  • Monoisotopic mass306.201721 Da
  • ChemSpider ID35586979

More details:

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

(1-{[4-(2,4,4-Trimethyl-2-pentanyl)phenoxy]methyl}cyclopropyl)methanethiol [ACD/IUPAC Name]
(1-{[4-(2,4,4-Triméthyl-2-pentanyl)phénoxy]méthyl}cyclopropyl)méthanethiol [French] [ACD/IUPAC Name]
(1-{[4-(2,4,4-Trimethyl-2-pentanyl)phenoxy]methyl}cyclopropyl)methanthiol [German] [ACD/IUPAC Name]
Cyclopropanemethanethiol, 1-[[4-(1,1,3,3-tetramethylbutyl)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: 398.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 194.7±23.2 °C
Index of Refraction: 1.521
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31476.35
ACD/KOC (pH 5.5): 57708.53
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31446.37
ACD/KOC (pH 7.4): 57653.56
Polar Surface Area: 48 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 309.0±3.0 cm3

Click to predict properties on the Chemicalize site


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