ChemSpider 2D Image | Bis(2-ethylhexyl) (3,4,5-trimethoxybenzyl)malonate | C29H48O7

Bis(2-ethylhexyl) (3,4,5-trimethoxybenzyl)malonate

  • Molecular FormulaC29H48O7
  • Average mass508.687 Da
  • Monoisotopic mass508.339996 Da
  • ChemSpider ID10135406

More details:






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

(3,4,5-Triméthoxybenzyl)malonate de bis(2-éthylhexyle) [French] [ACD/IUPAC Name]
Bis(2-ethylhexyl) (3,4,5-trimethoxybenzyl)malonate [ACD/IUPAC Name]
Bis(2-ethylhexyl)-(3,4,5-trimethoxybenzyl)malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[(3,4,5-trimethoxyphenyl)methyl]-, bis(2-ethylhexyl) ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 559.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 231.0±28.8 °C
Index of Refraction: 1.483
Molar Refractivity: 142.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 7.71
ACD/BCF (pH 5.5): 423926.19
ACD/KOC (pH 5.5): 371181.88
ACD/LogD (pH 7.4): 7.71
ACD/BCF (pH 7.4): 423915.94
ACD/KOC (pH 7.4): 371172.91
Polar Surface Area: 80 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 499.5±3.0 cm3

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