ChemSpider 2D Image | Methyl 2,2-dimethyl-2H-chromene-5-carboxylate | C13H14O3

Methyl 2,2-dimethyl-2H-chromene-5-carboxylate

  • Molecular FormulaC13H14O3
  • Average mass218.249 Da
  • Monoisotopic mass218.094299 Da
  • ChemSpider ID25999975

More details:

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

2,2-Diméthyl-2H-chromène-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-5-carboxylic acid, 2,2-dimethyl-, methyl ester [ACD/Index Name]
Methyl 2,2-dimethyl-2H-chromene-5-carboxylate [ACD/IUPAC Name]
Methyl-2,2-dimethyl-2H-chromen-5-carboxylat [German] [ACD/IUPAC Name]
methyl 2,2-dimethylchromene-5-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 323.5±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 133.0±22.2 °C
Index of Refraction: 1.529
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 315.80
ACD/KOC (pH 5.5): 2141.31
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 315.80
ACD/KOC (pH 7.4): 2141.31
Polar Surface Area: 36 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 196.9±3.0 cm3

Click to predict properties on the Chemicalize site


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