ChemSpider 2D Image | RZ2605000 | C33H28O8

RZ2605000

  • Molecular FormulaC33H28O8
  • Average mass552.571 Da
  • Monoisotopic mass552.178406 Da
  • ChemSpider ID19000

More details:

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

1,3-Propanediol, 2,2-bis[(benzoyloxy)methyl]-, dibenzoate [ACD/Index Name]
2,2-Bis[(benzoyloxy)methyl]dibenzoate propanediol
224-079-8 [EINECS]
3-(Benzoyloxy)-2,2-bis[(benzoyloxy)methyl]propyl benzoate [ACD/IUPAC Name]
3-(Benzoyloxy)-2,2-bis[(benzoyloxy)methyl]propyl-benzoat [German] [ACD/IUPAC Name]
4196-86-5 [RN]
Benzoate de 3-(benzoyloxy)-2,2-bis[(benzoyloxy)méthyl]propyle [French] [ACD/IUPAC Name]
MFCD00020676 [MDL number]
Pentaerythritol Tetrabenzoate
Pentaerythritol, tetrabenzoate
More...

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

U7L44GIS4O [DBID]
369373_ALDRICH [DBID]
BRN 3513249 [DBID]
CCRIS 5971 [DBID]
NCGC00091832-01 [DBID]
NSC 166502 [DBID]
NSC166502 [DBID]
UNII:U7L44GIS4O [DBID]
UNII-U7L44GIS4O [DBID]
ZINC04015432 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 286.2±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 150.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 9.88
ACD/LogD (pH 5.5): 7.78
ACD/BCF (pH 5.5): 479642.06
ACD/KOC (pH 5.5): 405482.53
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 479642.06
ACD/KOC (pH 7.4): 405482.53
Polar Surface Area: 105 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 440.3±3.0 cm3

Click to predict properties on the Chemicalize site


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