ChemSpider 2D Image | 5-Methyl-1-naphthoate | C12H9O2

5-Methyl-1-naphthoate

  • Molecular FormulaC12H9O2
  • Average mass185.199 Da
  • Monoisotopic mass185.060806 Da
  • ChemSpider ID31150502

  • Charge - Charge

More details:

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

1-Naphthalenecarboxylic acid, 5-methyl-, ion(1-) [ACD/Index Name]
5-Methyl-1-naphthoat [German] [ACD/IUPAC Name]
5-Methyl-1-naphthoate [ACD/IUPAC Name]
5-Méthyl-1-naphtoate [French] [ACD/IUPAC Name]
5-methylnaphthalene-1-carboxylate
  • Miscellaneous

    • Chemical Class:

      A member of the class of naphthoates that is 1-naphthoate substituted at position 5 by a methyl group; major species at pH 7.3. ChEBI CHEBI:78251

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

Density:
Boiling Point: 380.1±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 171.3±13.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 6.05
ACD/KOC (pH 5.5): 37.08
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.41
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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