Found 25 results

Search term: MF = 'C_{37}H_{68}O_{8}'
ChemSpider 2D Image | 3-(Heptanoyloxy)-2-{[(3-methylbutanoyl)oxy]methyl}-2-[(octanoyloxy)methyl]propyl laurate | C37H68O8

3-(Heptanoyloxy)-2-{[(3-methylbutanoyl)oxy]methyl}-2-[(octanoyloxy)methyl]propyl laurate

  • Molecular FormulaC37H68O8
  • Average mass640.931 Da
  • Monoisotopic mass640.491394 Da
  • ChemSpider ID2342286

More details:

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

3-(Heptanoyloxy)-2-{[(3-methylbutanoyl)oxy]methyl}-2-[(octanoyloxy)methyl]propyl laurate [ACD/IUPAC Name]
3-(Heptanoyloxy)-2-{[(3-methylbutanoyl)oxy]methyl}-2-[(octanoyloxy)methyl]propyllaurat [German] [ACD/IUPAC Name]
Dodecanoic acid, 3-(3-methyl-1-oxobutoxy)-2-[[(1-oxoheptyl)oxy]methyl]-2-[[(1-oxooctyl)oxy]methyl]propyl ester [ACD/Index Name]
Laurate de 3-(heptanoyloxy)-2-{[(3-méthylbutanoyl)oxy]méthyl}-2-[(octanoyloxy)méthyl]propyle [French] [ACD/IUPAC Name]
268-594-6 [EINECS]
3-(HEPTANOYLOXY)-2-{[(3-METHYLBUTANOYL)OXY]METHYL}-2-[(OCTANOYLOXY)METHYL]PROPYL DODECANOATE
68130-51-8 [RN]
Decanoic acid, mixed esters with heptanoic acid, isovaleric acid, octanoic acid and pentaerythritol
Pentaerythritol, isopentanoic acid, heptanoic acid, caprylic acid, capric acid mixed esters

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

Density: 1.0±0.1 g/cm3
Boiling Point: 656.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 261.0±30.2 °C
Index of Refraction: 1.464
Molar Refractivity: 180.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 12.57
ACD/LogD (pH 5.5): 12.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 105 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 653.6±3.0 cm3

Click to predict properties on the Chemicalize site


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