ChemSpider 2D Image | Pentaerythritol tetrapelargonate | C41H76O8

Pentaerythritol tetrapelargonate

  • Molecular FormulaC41H76O8
  • Average mass697.037 Da
  • Monoisotopic mass696.554016 Da
  • ChemSpider ID76177

More details:

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

14450-05-6 [RN]
2,2-Bis(((1-oxononyl)oxy)methyl)propane-1,3-diyl dinonan-1-oate
2,2-bis[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate
238-430-8 [EINECS]
3-(Nonanoyloxy)-2,2-bis[(nonanoyloxy)methyl]propyl nonanoate [ACD/IUPAC Name]
3-(nonanoyloxy)-2,2-bis[(nonanoyloxy)methyl]propyl nonanoate (non-preferred name)
3-(Nonanoyloxy)-2,2-bis[(nonanoyloxy)methyl]propyl-nonanoat [German] [ACD/IUPAC Name]
Nonanoate de 3-(nonanoyloxy)-2,2-bis[(nonanoyloxy)méthyl]propyle [French] [ACD/IUPAC Name]
Nonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester
Pentaerythritol tetrapelargonate
More...

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

RNT5EQ94KD [DBID]
AI3-14798 [DBID]
UNII:RNT5EQ94KD [DBID]
UNII-RNT5EQ94KD [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 699.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 273.6±30.2 °C
Index of Refraction: 1.466
Molar Refractivity: 199.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.88
ACD/LogD (pH 5.5): 14.66
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 105 Å2
Polarizability: 78.9±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 719.3±3.0 cm3

Click to predict properties on the Chemicalize site


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