ChemSpider 2D Image | MFCD00041922 | C77H148O8

MFCD00041922

  • Molecular FormulaC77H148O8
  • Average mass1201.994 Da
  • Monoisotopic mass1201.117432 Da
  • ChemSpider ID54996

More details:

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

115-83-3 [RN]
204-110-1 [EINECS]
3-(octadecanoyloxy)-2,2-bis[(octadecanoyloxy)methyl]propyl octadecanoate
3-(octadecanoyloxy)-2,2-bis[(octadecanoyloxy)methyl]propyl octadecanoate (non-preferred name)
3-(Stearoyloxy)-2,2-bis[(stearoyloxy)methyl]propyl stearate [ACD/IUPAC Name]
3-(Stearoyloxy)-2,2-bis[(stearoyloxy)methyl]propylstearat [German] [ACD/IUPAC Name]
MFCD00041922
OCTADECANOIC ACID, 2,2-BIS[[(1-OXOOCTADECYL)OXY]METHYL]-1,3-PROPANEDIYL ESTER
octadecanoic acid, 3-[(1-oxooctadecyl)oxy]-2,2-bis[[(1-oxooctadecyl)oxy]methyl]propyl ester
Pantaerythrit tetrastearate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

W9Q3DZS0EG [DBID]
UNII:W9Q3DZS0EG [DBID]
UNII-W9Q3DZS0EG [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 998.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.9±3.0 kJ/mol
Flash Point: 342.4±32.9 °C
Index of Refraction: 1.469
Molar Refractivity: 365.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 76
#Rule of 5 Violations: 2
ACD/LogP: 34.01
ACD/LogD (pH 5.5): 32.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 32.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 105 Å2
Polarizability: 145.0±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 1313.5±3.0 cm3

Click to predict properties on the Chemicalize site


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