ChemSpider 2D Image | (1E)-1-Buten-3-yne-1,2,4-tricarboxylic acid | C7H4O6

(1E)-1-Buten-3-yne-1,2,4-tricarboxylic acid

  • Molecular FormulaC7H4O6
  • Average mass184.103 Da
  • Monoisotopic mass184.000793 Da
  • ChemSpider ID110421495

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E)-1-Buten-3-in-1,2,4-tricarbonsäure [German] [ACD/IUPAC Name]
(1E)-1-Buten-3-yne-1,2,4-tricarboxylic acid [ACD/IUPAC Name]
1-Buten-3-yne-1,2,4-tricarboxylic acid, (1E)- [ACD/Index Name]
Acide (1E)-1-butén-3-yne-1,2,4-tricarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 512.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 85.8±6.0 kJ/mol
Flash Point: 277.8±26.6 °C
Index of Refraction: 1.626
Molar Refractivity: 37.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -4.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 108.2±3.0 dyne/cm
Molar Volume: 104.7±3.0 cm3

Click to predict properties on the Chemicalize site


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