ChemSpider 2D Image | UNII:XJ7052W897 | C37H68O8

UNII:XJ7052W897

  • Molecular FormulaC37H68O8
  • Average mass640.931 Da
  • Monoisotopic mass640.491394 Da
  • ChemSpider ID99601

More details:

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

2,2-Bis(((2-ethyl-1-oxohexyl)oxy)methyl)propane-1,3-diyl bis(2-ethylhexanoate)
230-743-8 [EINECS]
2-Éthylhexanoate de 3-[(2-éthylhexanoyl)oxy]-2,2-bis{[(2-éthylhexanoyl)oxy]méthyl}propyle [French] [ACD/IUPAC Name]
3-[(2-Ethylhexanoyl)oxy]-2,2-bis{[(2-ethylhexanoyl)oxy]methyl}propyl 2-ethylhexanoate [ACD/IUPAC Name]
3-[(2-Ethylhexanoyl)oxy]-2,2-bis{[(2-ethylhexanoyl)oxy]methyl}propyl-2-ethylhexanoat [German] [ACD/IUPAC Name]
7299-99-2 [RN]
hexanoic acid, 2-ethyl-, 3-[(2-ethyl-1-oxohexyl)oxy]-2,2-bis[[(2-ethyl-1-oxohexyl)oxy]methyl]propyl ester
Pentaerythritol tetra(2-ethylhexanoate)
UNII:XJ7052W897
120097-45-2 [RN]
More...

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

  • Gas Chromatography

    • Retention Index (Linear):

      3267 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 12.5 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 120 C; End T: 325 C; End time: 5 min; CAS no: 7299992; Active phase: Ultra-1; Carrier gas: He; Phase thickness: 0.11 um; Data type: Linear RI; Authors: Tokuda, H.; Saitoh, E.; Kimura, Y.; Takano, S., Automated analysis of various compounds with a wide range of boiling points by capillary gas chromatgraphy based on retention indices, J. Chromatogr., 454, 1988, 109-120.) NIST Spectra nist ri

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

Density: 1.0±0.1 g/cm3
Boiling Point: 647.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 257.3±30.2 °C
Index of Refraction: 1.463
Molar Refractivity: 180.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 12.02
ACD/LogD (pH 5.5): 10.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 105 Å2
Polarizability: 71.5±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 654.8±3.0 cm3

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