ChemSpider 2D Image | Diethyl 2-(3-methylbutanoyl)succinate | C13H22O5

Diethyl 2-(3-methylbutanoyl)succinate

  • Molecular FormulaC13H22O5
  • Average mass258.311 Da
  • Monoisotopic mass258.146729 Da
  • ChemSpider ID21411989

More details:






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

2-(3-Méthylbutanoyl)succinate de diéthyle [French] [ACD/IUPAC Name]
2-(3-Methyl-butyryl)-succinic acid diethyl ester
73642-77-0 [RN]
Butanedioic acid, 2-(3-methyl-1-oxobutyl)-, diethyl ester [ACD/Index Name]
Diethyl 2-(3-methylbutanoyl)succinate [ACD/IUPAC Name]
Diethyl-2-(3-methylbutanoyl)succinat [German] [ACD/IUPAC Name]
1,4-diethyl 2-(3-methylbutanoyl)butanedioate
2-(3-METHYL-BUTYRYL)SUCCINIC ACID DIETHYL ESTER
Diethyl 2-(3-methylbutanoyl)butanedioate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 337.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 144.9±22.4 °C
Index of Refraction: 1.443
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.46
ACD/KOC (pH 5.5): 500.59
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.41
ACD/KOC (pH 7.4): 500.06
Polar Surface Area: 70 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 248.0±3.0 cm3

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