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

(1-{[2,4-Bis(2-methyl-2-propanyl)phenoxy]methyl}cyclopropyl)methanethiol

  • Molecular FormulaC19H30OS
  • Average mass306.506 Da
  • Monoisotopic mass306.201721 Da
  • ChemSpider ID35586903

More details:

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

(1-{[2,4-Bis(2-methyl-2-propanyl)phenoxy]methyl}cyclopropyl)methanethiol [ACD/IUPAC Name]
(1-{[2,4-Bis(2-méthyl-2-propanyl)phénoxy]méthyl}cyclopropyl)méthanethiol [French] [ACD/IUPAC Name]
(1-{[2,4-Bis(2-methyl-2-propanyl)phenoxy]methyl}cyclopropyl)methanthiol [German] [ACD/IUPAC Name]
Cyclopropanemethanethiol, 1-[[2,4-bis(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: 388.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 188.8±25.9 °C
Index of Refraction: 1.519
Molar Refractivity: 94.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 36418.43
ACD/KOC (pH 5.5): 64058.36
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 36383.74
ACD/KOC (pH 7.4): 63997.33
Polar Surface Area: 48 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 309.6±3.0 cm3

Click to predict properties on the Chemicalize site


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