ChemSpider 2D Image | 4-Ethoxy-4-oxo-2-butynoic acid | C6H6O4

4-Ethoxy-4-oxo-2-butynoic acid

  • Molecular FormulaC6H6O4
  • Average mass142.109 Da
  • Monoisotopic mass142.026611 Da
  • ChemSpider ID26995015

More details:

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

2-Butynedioic acid, monoethyl ester [ACD/Index Name]
38391-86-5 [RN]
4-Ethoxy-4-oxo-2-butinsäure [German] [ACD/IUPAC Name]
4-Ethoxy-4-oxo-2-butynoic acid [ACD/IUPAC Name]
4-ETHOXY-4-OXOBUT-2-YNOIC ACID
Acide 4-éthoxy-4-oxo-2-butynoïque [French] [ACD/IUPAC Name]
acetylenedicarboxylic acid monoethylester
MFCD19228377

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

Density: 1.3±0.1 g/cm3
Boiling Point: 250.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 53.7±6.0 kJ/mol
Flash Point: 105.7±16.1 °C
Index of Refraction: 1.484
Molar Refractivity: 31.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 109.0±3.0 cm3

Click to predict properties on the Chemicalize site


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