ChemSpider 2D Image | MFCD00144117 | C12H10D4O4

MFCD00144117

  • Molecular FormulaC12H10D4O4
  • Average mass226.262 Da
  • Monoisotopic mass226.114319 Da
  • ChemSpider ID17341257
  • Non-standard isotope - Non-standard isotope


More details:






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

1,2-(2H4)Benzènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, diethyl ester
1,2-Benzene-d4-dicarboxylic acid, diethyl ester [ACD/Index Name]
93952-12-6 [RN]
Diethyl (2H4)benzene-1,2-dicarboxylate
Diethyl 1,2-(2H4)benzenedicarboxylate [ACD/IUPAC Name]
Diethyl phthalate-3,4,5,6-d4
Diethyl-1,2-(2H4)benzoldicarboxylat [German] [ACD/IUPAC Name]
MFCD00144117
1,2-Benzene-3,4,5,6-d4-dicarboxylicacid, diethyl ester (9CI)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

492221_ALDRICH [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 294.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.4±3.0 kJ/mol
Flash Point: 160.0±0.0 °C
Index of Refraction: 1.508
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 68.19
ACD/KOC (pH 5.5): 714.82
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 68.19
ACD/KOC (pH 7.4): 714.82
Polar Surface Area: 53 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 198.2±3.0 cm3

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