ChemSpider 2D Image | JTT-608 | C11H18O3

JTT-608

  • Molecular FormulaC11H18O3
  • Average mass198.259 Da
  • Monoisotopic mass198.125595 Da
  • ChemSpider ID23223347

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

195137-72-5 [RN]
4-(trans-4-Methylcyclohexyl)-4-oxobutanoic acid [ACD/IUPAC Name]
4-(trans-4-Methylcyclohexyl)-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-(trans-4-méthylcyclohexyl)-4-oxobutanoïque [French] [ACD/IUPAC Name]
Cyclohexanebutanoic acid, 4-methyl-γ-oxo-, trans- [ACD/Index Name]
JTT-608
U419K07BFP
4-(4-Methyl-cyclohexyl)-4-oxo-butyric acid
UNII:U419K07BFP
UNII-U419K07BFP

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

Density: 1.1±0.1 g/cm3
Boiling Point: 342.0±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.4±6.0 kJ/mol
Flash Point: 174.8±16.9 °C
Index of Refraction: 1.477
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 3.35
ACD/KOC (pH 5.5): 47.65
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 185.3±3.0 cm3

Click to predict properties on the Chemicalize site


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