ChemSpider 2D Image | 2J5C717I43 | C27H40O3

2J5C717I43

  • Molecular FormulaC27H40O3
  • Average mass412.605 Da
  • Monoisotopic mass412.297760 Da
  • ChemSpider ID14757115

More details:






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

2J5C717I43
2-Naphthalenecarboxylic acid, 3-hydroxy-, hexadecyl ester [ACD/Index Name]
3-Hydroxy-2-naphtoate d'hexadécyle [French] [ACD/IUPAC Name]
531-84-0 [RN]
Hexadecyl 3-hydroxy-2-naphthoate [ACD/IUPAC Name]
Hexadecyl-3-hydroxy-2-naphthoat [German] [ACD/IUPAC Name]
3-hydroxy-2-naphthalenecarboxylic acid hexadecyl ester
3-hydroxynaphthalene-2-carboxylic acid cetyl ester
hexadecyl 3-hydroxynaphthalene-2-carboxylate
HEXADECYL-3-HYDROXY-2-NAPHTHOATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 522.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 196.1±15.4 °C
Index of Refraction: 1.537
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 11.44
ACD/LogD (pH 5.5): 10.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 47 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 407.5±3.0 cm3

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