ChemSpider 2D Image | Butyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furancarboxylate | C14H18O7

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

  • Molecular FormulaC14H18O7
  • Average mass298.289 Da
  • Monoisotopic mass298.105255 Da
  • ChemSpider ID26534666

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)-, butyl ester [ACD/Index Name]
3-Acétyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2,5-dihydro-2-furanecarboxylate de butyle [French] [ACD/IUPAC Name]
85237-87-2 [RN]
Butyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furancarboxylate
Butyl 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2,5-dihydro-2-furancarboxylate [ACD/IUPAC Name]
Butyl-3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2,5-dihydro-2-furancarboxylat [German] [ACD/IUPAC Name]
Butyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)furoate
BUTYL 3-ACETYL-4-HYDROXY-5-OXO-2-(2-OXOPROPYL)FURAN-2-CARBOXYLATE
Butyl3-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: 487.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.8±6.0 kJ/mol
Flash Point: 180.8±22.2 °C
Index of Refraction: 1.513
Molar Refractivity: 69.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.13
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 230.5±3.0 cm3

Click to predict properties on the Chemicalize site


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