ChemSpider 2D Image | Bis[(~2~H_3_)methyl] 2-butynedioate | C6D6O4

Bis[(2H3)methyl] 2-butynedioate

  • Molecular FormulaC6D6O4
  • Average mass148.146 Da
  • Monoisotopic mass148.064270 Da
  • ChemSpider ID57618448

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Butynedioate de bis[(2H3)méthyle] [French] [ACD/IUPAC Name]
2-Butynedioic acid, dimethyl-d3 ester [ACD/Index Name]
Bis[(2H3)methyl] 2-butynedioate [ACD/IUPAC Name]
Bis[(2H3)methyl]-2-butindioat [German] [ACD/IUPAC Name]
16199-24-9 [RN]
di(trideuteriomethyl)acetylenedicarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 204.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.1±3.0 kJ/mol
Flash Point: 86.1±0.0 °C
Index of Refraction: 1.446
Molar Refractivity: 31.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.09
ACD/KOC (pH 5.5): 77.99
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 77.99
Polar Surface Area: 53 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 117.8±3.0 cm3

Click to predict properties on the Chemicalize site


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