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Search term: CC(C)CCCCCCCCC(O)C(O)C(=O)O (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 2,3-Dihydroxy-12-methyltridecanoic acid | C14H28O4

2,3-Dihydroxy-12-methyltridecanoic acid

  • Molecular FormulaC14H28O4
  • Average mass260.370 Da
  • Monoisotopic mass260.198761 Da
  • ChemSpider ID67026967

More details:






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

2,3-Dihydroxy-12-methyltridecanoic acid [ACD/IUPAC Name]
2,3-Dihydroxy-12-methyltridecansäure [German] [ACD/IUPAC Name]
Acide 2,3-dihydroxy-12-méthyltridécanoïque [French] [ACD/IUPAC Name]
Tridecanoic acid, 2,3-dihydroxy-12-methyl- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 421.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±6.0 kJ/mol
Flash Point: 223.0±21.1 °C
Index of Refraction: 1.482
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.21
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 250.4±3.0 cm3

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