ChemSpider 2D Image | trans-1-Ethoxy-4-(2-methyl-2-butanyl)cyclohexane | C13H26O

trans-1-Ethoxy-4-(2-methyl-2-butanyl)cyclohexane

  • Molecular FormulaC13H26O
  • Average mass198.345 Da
  • Monoisotopic mass198.198364 Da
  • ChemSpider ID23350144

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, trans- [ACD/Index Name]
Ethyl trans-4-(2-methylbutan-2-yl)cyclohexyl ether
trans-1-Ethoxy-4-(2-methyl-2-butanyl)cyclohexan [German] [ACD/IUPAC Name]
trans-1-Ethoxy-4-(2-methyl-2-butanyl)cyclohexane [ACD/IUPAC Name]
trans-1-Éthoxy-4-(2-méthyl-2-butanyl)cyclohexane [French] [ACD/IUPAC Name]
trans-1-Ethoxy-4-(2-methylbutan-2-yl)cyclohexane
181258-89-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 228.2±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.6±3.0 kJ/mol
Flash Point: 84.8±14.2 °C
Index of Refraction: 1.445
Molar Refractivity: 61.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3561.98
ACD/KOC (pH 5.5): 12130.95
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3561.98
ACD/KOC (pH 7.4): 12130.95
Polar Surface Area: 9 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 27.8±5.0 dyne/cm
Molar Volume: 232.4±5.0 cm3

Click to predict properties on the Chemicalize site


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