ChemSpider 2D Image | [(3R)-5,5-Dihexadecyl-3-methyl-1,2-dioxolan-3-yl]acetic acid | C38H74O4

[(3R)-5,5-Dihexadecyl-3-methyl-1,2-dioxolan-3-yl]acetic acid

  • Molecular FormulaC38H74O4
  • Average mass594.992 Da
  • Monoisotopic mass594.558716 Da
  • ChemSpider ID74112171

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3R)-5,5-Dihexadecyl-3-methyl-1,2-dioxolan-3-yl]acetic acid [ACD/IUPAC Name]
[(3R)-5,5-Dihexadecyl-3-methyl-1,2-dioxolan-3-yl]essigsäure [German] [ACD/IUPAC Name]
1,2-Dioxolane-3-acetic acid, 5,5-dihexadecyl-3-methyl-, (3R)- [ACD/Index Name]
Acide [(3R)-5,5-dihexadécyl-3-méthyl-1,2-dioxolan-3-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 641.1±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±6.0 kJ/mol
Flash Point: 177.8±16.4 °C
Index of Refraction: 1.462
Molar Refractivity: 180.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 17.02
ACD/LogD (pH 5.5): 14.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 56 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 657.2±3.0 cm3

Click to predict properties on the Chemicalize site


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