ChemSpider 2D Image | MFCD00221931 | C42H58O6

MFCD00221931

  • Molecular FormulaC42H58O6
  • Average mass658.906 Da
  • Monoisotopic mass658.423340 Da
  • ChemSpider ID2123913

More details:

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

1,2-Benzenedicarboxylic acid, bis[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]propyl] ester [ACD/Index Name]
bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl] phthalate
Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] phthalate
Bis{3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propyl} phthalate [ACD/IUPAC Name]
Bis{3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propyl}-phthalat [German] [ACD/IUPAC Name]
MFCD00221931
Phtalate de bis{3-[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]propyle} [French] [ACD/IUPAC Name]
PHTHALIC ACID BIS-(3-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-PROPYL) ESTER
3-[3,5-bis(tert-butyl)-4-hydroxyphenyl]propyl 2-({3-[3,5-bis(tert-butyl)-4-hydroxyphenyl]propyl}oxycarbonyl)benzoate
bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] benzene-1,2-dicarboxylate
More...

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

A0815/0038181 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 666.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 186.9±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 194.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 12.13
ACD/LogD (pH 5.5): 11.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 93 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 616.3±3.0 cm3

Click to predict properties on the Chemicalize site


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