ChemSpider 2D Image | Neopentyl glycol dioleate | C41H76O4

Neopentyl glycol dioleate

  • Molecular FormulaC41H76O4
  • Average mass633.040 Da
  • Monoisotopic mass632.574341 Da
  • ChemSpider ID17215468

  • 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-diméthyl-1,3-propanediyle [French] [ACD/IUPAC Name]
2,2-Dimethyl-1,3-propandiyl-(9Z,9'Z)bis(-9-octadecenoat) [German] [ACD/IUPAC Name]
2,2-Dimethyl-1,3-propanediyl (9Z,9'Z)bis(-9-octadecenoate) [ACD/IUPAC Name]
2,2-dimethylpropane-1,3-diyl (9Z,9'Z)bis-octadec-9-enoate
255-713-1 [EINECS]
42222-50-4 [RN]
9-Octadecenoic acid (9Z)-, 2,2-dimethyl-1,3-propanediyl ester
9-Octadecenoic acid, 2,2-dimethyl-1,3-propanediyl ester, (9Z,9'Z)- [ACD/Index Name]
Neopentyl glycol dioleate
2,2-Dimethyl-1,3-propanediyl dioleate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1I6UA18EM2 [DBID]
UNII:1I6UA18EM2 [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: 662.2±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 312.7±28.0 °C
Index of Refraction: 1.471
Molar Refractivity: 195.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 17.03
ACD/LogD (pH 5.5): 15.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 77.6±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 699.6±3.0 cm3

Click to predict properties on the Chemicalize site


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