ChemSpider 2D Image | 6-Methyl-3-(3-methylbutyl)-2-heptanyl stearate | C31H62O2

6-Methyl-3-(3-methylbutyl)-2-heptanyl stearate

  • Molecular FormulaC31H62O2
  • Average mass466.823 Da
  • Monoisotopic mass466.474976 Da
  • ChemSpider ID57513687

More details:

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

6-Methyl-3-(3-methylbutyl)-2-heptanyl stearate [ACD/IUPAC Name]
6-Methyl-3-(3-methylbutyl)-2-heptanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 1,5-dimethyl-2-(3-methylbutyl)hexyl ester [ACD/Index Name]
Stéarate de 6-méthyl-3-(3-méthylbutyl)-2-heptanyle [French] [ACD/IUPAC Name]
6-METHYL-3-(3-METHYLBUTYL)HEPTAN-2-YL OCTADECANOATE
88332-31-4 [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: 471.6±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 262.4±11.1 °C
Index of Refraction: 1.453
Molar Refractivity: 147.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 1
ACD/LogP: 14.32
ACD/LogD (pH 5.5): 12.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 30.4±3.0 dyne/cm
Molar Volume: 545.2±3.0 cm3

Click to predict properties on the Chemicalize site


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