ChemSpider 2D Image | 2-[(Cyclopropylcarbonyl)oxy]-3-methylbenzoic acid | C12H12O4

2-[(Cyclopropylcarbonyl)oxy]-3-methylbenzoic acid

  • Molecular FormulaC12H12O4
  • Average mass220.221 Da
  • Monoisotopic mass220.073563 Da
  • ChemSpider ID25058534

More details:

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

2-[(Cyclopropylcarbonyl)oxy]-3-methylbenzoesäure [German] [ACD/IUPAC Name]
2-[(Cyclopropylcarbonyl)oxy]-3-methylbenzoic acid [ACD/IUPAC Name]
Acide 2-[(cyclopropylcarbonyl)oxy]-3-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(cyclopropylcarbonyl)oxy]-3-methyl- [ACD/Index Name]
S7B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 367.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 143.2±18.1 °C
Index of Refraction: 1.599
Molar Refractivity: 56.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 165.2±3.0 cm3

Click to predict properties on the Chemicalize site


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