ChemSpider 2D Image | 2-Carboxy-6-isopropyl-3-methylphenolate | C11H13O3

2-Carboxy-6-isopropyl-3-methylphenolate

  • Molecular FormulaC11H13O3
  • Average mass193.220 Da
  • Monoisotopic mass193.087021 Da
  • ChemSpider ID95793159

  • Charge - Charge

More details:

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

2-Carboxy-6-isopropyl-3-methylphenolat [German] [ACD/IUPAC Name]
2-Carboxy-6-isopropyl-3-methylphenolate [ACD/IUPAC Name]
2-Carboxy-6-isopropyl-3-méthylphénolate [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-6-methyl-3-(1-methylethyl)-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 316.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 159.3±24.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.53
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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