Found 18 results

Search term: MF = 'C_{39}H_{60}O_{8}'
ChemSpider 2D Image | PENTAERYTHRITOL BIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE) | C39H60O8

PENTAERYTHRITOL BIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE)

  • Molecular FormulaC39H60O8
  • Average mass656.889 Da
  • Monoisotopic mass656.428833 Da
  • ChemSpider ID52085253

More details:

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

2,2-Bis(hydroxymethyl)-1,3-propandiyl-bis{3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoat} [German] [ACD/IUPAC Name]
2,2-Bis(hydroxymethyl)-1,3-propanediyl bis{3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate} [ACD/IUPAC Name]
36913-60-7 [RN]
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester [ACD/Index Name]
Bis{3-[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]propanoate} de 2,2-bis(hydroxyméthyl)-1,3-propanediyle [French] [ACD/IUPAC Name]
PENTAERYTHRITOL BIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE)
2,2-bis(hydroxymethyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester

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

2RS3YUM82C [DBID]
UNII:2RS3YUM82C [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: 650.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 182.0±23.6 °C
Index of Refraction: 1.535
Molar Refractivity: 185.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 9.24
ACD/LogD (pH 5.5): 9.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1922196.38
ACD/LogD (pH 7.4): 9.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1922147.75
Polar Surface Area: 134 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 597.1±3.0 cm3

Click to predict properties on the Chemicalize site


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