ChemSpider 2D Image | Pentaerythritol Dioleate | C41H76O6

Pentaerythritol Dioleate

  • Molecular FormulaC41H76O6
  • Average mass665.039 Da
  • Monoisotopic mass664.564209 Da
  • ChemSpider ID7985671

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,9'Z)Bis(-9-octadécénoate) de 2,2-bis(hydroxyméthyl)-1,3-propanediyle [French] [ACD/IUPAC Name]
2,2-Bis(hydroxymethyl)-1,3-propandiyl-(9Z,9'Z)bis(-9-octadecenoat) [German] [ACD/IUPAC Name]
2,2-Bis(hydroxymethyl)-1,3-propanediyl (9Z,9'Z)bis(-9-octadecenoate) [ACD/IUPAC Name]
2,2-Bis(hydroxymethyl)propane-1,3-diyl (9Z,9'Z)bis-octadec-9-enoate
246-665-2 [EINECS]
25151-96-6 [RN]
9-Octadecenoic acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester, (9Z,9'Z)- [ACD/Index Name]
Pentaerythritol Dioleate
Pentaerythrityl dioleate
(Z)-octadec-9-enoic acid [2,2-bis(hydroxymethyl)-3-[(Z)-1-oxooctadec-9-enoxy]propyl] ester
More...

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

9Z47CC098O [DBID]
UNII:9Z47CC098O [DBID]
UNII-9Z47CC098O [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: 688.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 187.8±25.0 °C
Index of Refraction: 1.484
Molar Refractivity: 198.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 15.77
ACD/LogD (pH 5.5): 14.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 93 Å2
Polarizability: 78.8±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 694.6±3.0 cm3

Click to predict properties on the Chemicalize site


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