ChemSpider 2D Image | lactone diacid 7-O-n-butyl ester | C18H20O7

lactone diacid 7-O-n-butyl ester

  • Molecular FormulaC18H20O7
  • Average mass348.347 Da
  • Monoisotopic mass348.120911 Da
  • ChemSpider ID62816315

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(3-Butoxy-3-oxopropyl)-4-hydroxy-5-oxo-3-phenyl-2,5-dihydro-2-furancarbonsäure [German] [ACD/IUPAC Name]
(2R)-2-(3-Butoxy-3-oxopropyl)-4-hydroxy-5-oxo-3-phenyl-2,5-dihydro-2-furancarboxylic acid [ACD/IUPAC Name]
2-Furanpropanoic acid, 2-carboxy-2,5-dihydro-4-hydroxy-5-oxo-3-phenyl-, α-butyl ester, (2R)- [ACD/Index Name]
Acide (2R)-2-(3-butoxy-3-oxopropyl)-4-hydroxy-5-oxo-3-phényl-2,5-dihydro-2-furanecarboxylique [French] [ACD/IUPAC Name]
lactone diacid 7-O-n-butyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 209.7±23.6 °C
Index of Refraction: 1.574
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 261.0±3.0 cm3

Click to predict properties on the Chemicalize site


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