ChemSpider 2D Image | (2E)-2,3-Diethyl-2-butenedioic acid | C8H12O4

(2E)-2,3-Diethyl-2-butenedioic acid

  • Molecular FormulaC8H12O4
  • Average mass172.178 Da
  • Monoisotopic mass172.073563 Da
  • ChemSpider ID102086240

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2,3-Diethyl-2-butendisäure [German] [ACD/IUPAC Name]
(2E)-2,3-Diethyl-2-butenedioic acid [ACD/IUPAC Name]
2-Butenedioic acid, 2,3-diethyl-, (2E)- [ACD/Index Name]
Acide (2E)-2,3-diéthyl-2-butènedioïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 352.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 65.6±6.0 kJ/mol
Flash Point: 181.1±19.7 °C
Index of Refraction: 1.499
Molar Refractivity: 42.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): -3.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 143.1±3.0 cm3

Click to predict properties on the Chemicalize site


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