ChemSpider 2D Image | Propyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furancarboxylate | C13H16O7

Propyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furancarboxylate

  • Molecular FormulaC13H16O7
  • Average mass284.262 Da
  • Monoisotopic mass284.089600 Da
  • ChemSpider ID26532114

More details:

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

2-Furancarboxylic acid, 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-, propyl ester [ACD/Index Name]
3-Acétyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2,5-dihydro-2-furanecarboxylate de propyle [French] [ACD/IUPAC Name]
85237-88-3 [RN]
Propyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furancarboxylate
Propyl 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2,5-dihydro-2-furancarboxylate [ACD/IUPAC Name]
Propyl-3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2,5-dihydro-2-furancarboxylat [German] [ACD/IUPAC Name]
Propyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)furoate
PROPYL 3-ACETYL-4-HYDROXY-5-OXO-2-(2-OXOPROPYL)FURAN-2-CARBOXYLATE
Propyl3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)furoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.8±6.0 kJ/mol
Flash Point: 181.0±22.2 °C
Index of Refraction: 1.516
Molar Refractivity: 64.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.75
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 214.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement