ChemSpider 2D Image | 3-(3,3-Dimethylcyclohexyl)-2-(ethoxycarbonyl)butanoic acid | C15H26O4

3-(3,3-Dimethylcyclohexyl)-2-(ethoxycarbonyl)butanoic acid

  • Molecular FormulaC15H26O4
  • Average mass270.365 Da
  • Monoisotopic mass270.183105 Da
  • ChemSpider ID23351201

More details:






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

3-(3,3-Dimethylcyclohexyl)-2-(ethoxycarbonyl)butanoic acid [ACD/IUPAC Name]
3-(3,3-Dimethylcyclohexyl)-2-(ethoxycarbonyl)butansäure [German] [ACD/IUPAC Name]
Acide 3-(3,3-diméthylcyclohexyl)-2-(éthoxycarbonyl)butanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[1-(3,3-dimethylcyclohexyl)ethyl]-, monoethyl ester [ACD/Index Name]
478695-70-4 [RN]
Propanedioic acid, 1-(3,3-dimethylcyclohexyl)ethyl ethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 373.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.2±6.0 kJ/mol
Flash Point: 128.5±16.7 °C
Index of Refraction: 1.468
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 4.06
ACD/KOC (pH 5.5): 16.69
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.54
Polar Surface Area: 64 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 261.5±3.0 cm3

Click to predict properties on the Chemicalize site






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