ChemSpider 2D Image | V88J661G2P | C35H62O3

V88J661G2P

  • Molecular FormulaC35H62O3
  • Average mass530.865 Da
  • Monoisotopic mass530.469910 Da
  • ChemSpider ID15539

More details:






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

2082-79-3 [RN]
218-216-0 [EINECS]
3-[4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]propanoate d'octadécyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester [ACD/Index Name]
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Octadecyl 3,5-di-t-butyl-4-hydroxyhydrocinnamate
Octadecyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
octadecyl 3-[3,5-bis(tert-butyl)-4-hydroxyphenyl]propanoate
Octadecyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

367079_ALDRICH [DBID]
E 376 [DBID]
HSDB 5865 [DBID]
I 1076 [DBID]
IR 1076 [DBID]
Ralox 530 [DBID]
U 276 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 568.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 196.3±21.5 °C
Index of Refraction: 1.487
Molar Refractivity: 164.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 13.93
ACD/LogD (pH 5.5): 13.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 47 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 571.2±3.0 cm3

Click to predict properties on the Chemicalize site





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