ChemSpider 2D Image | 2-Hexanyl hexyl 1,2-(~2~H_4_)benzenedicarboxylate | C20H26D4O4

2-Hexanyl hexyl 1,2-(2H4)benzenedicarboxylate

  • Molecular FormulaC20H26D4O4
  • Average mass338.474 Da
  • Monoisotopic mass338.239502 Da
  • ChemSpider ID58783175

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-(2H4)Benzènedicarboxylate de 2-hexanyle et d'hexyle [French] [ACD/IUPAC Name]
1,2-Benzene-d4-dicarboxylic acid, hexyl 1-methylpentyl ester [ACD/Index Name]
2-Hexanyl hexyl 1,2-(2H4)benzenedicarboxylate [ACD/IUPAC Name]
2-Hexanyl-hexyl-1,2-(2H4)benzoldicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 359.0±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 189.9±8.5 °C
Index of Refraction: 1.493
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 53093.39
ACD/KOC (pH 5.5): 83900.71
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 53093.39
ACD/KOC (pH 7.4): 83900.71
Polar Surface Area: 53 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 330.7±3.0 cm3

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