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Search term: 113369163 (Found by CSID)
ChemSpider 2D Image | (2R)-2-Hexadecyl-3-methylenesuccinic acid | C21H38O4

(2R)-2-Hexadecyl-3-methylenesuccinic acid

  • Molecular FormulaC21H38O4
  • Average mass354.524 Da
  • Monoisotopic mass354.277008 Da
  • ChemSpider ID113369163

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Hexadecyl-3-methylenbernsteinsäure [German] [ACD/IUPAC Name]
(2R)-2-Hexadecyl-3-methylenesuccinic acid [ACD/IUPAC Name]
Acide (2R)-2-hexadécyl-3-méthylènesuccinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hexadecyl-3-methylene-, (2R)- [ACD/Index Name]
(R)-3-hexadecylitaconic acid
1-nonadecene-2,3R-dicarboxylic acid
Ceriporic acid B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 512.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 85.7±6.0 kJ/mol
Flash Point: 277.6±21.9 °C
Index of Refraction: 1.479
Molar Refractivity: 102.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 8.70
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 1521.69
ACD/KOC (pH 5.5): 1128.75
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 14.07
ACD/KOC (pH 7.4): 10.44
Polar Surface Area: 75 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 359.7±3.0 cm3

Click to predict properties on the Chemicalize site


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