ChemSpider 2D Image | 1,4,7,10,13-Pentaoxacyclopentadecan-2-ylmethyl 5-cyclohexylpentanoate | C22H40O7

1,4,7,10,13-Pentaoxacyclopentadecan-2-ylmethyl 5-cyclohexylpentanoate

  • Molecular FormulaC22H40O7
  • Average mass416.549 Da
  • Monoisotopic mass416.277405 Da
  • ChemSpider ID76731443

More details:






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

1,4,7,10,13-Pentaoxacyclopentadecan-2-ylmethyl 5-cyclohexylpentanoate [ACD/IUPAC Name]
1,4,7,10,13-Pentaoxacyclopentadecan-2-ylmethyl-5-cyclohexylpentanoat [German] [ACD/IUPAC Name]
5-Cyclohexylpentanoate de 1,4,7,10,13-pentaoxacyclopentadécan-2-ylméthyle [French] [ACD/IUPAC Name]
Cyclohexanepentanoic acid, 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 534.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 228.4±28.8 °C
Index of Refraction: 1.445
Molar Refractivity: 109.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.15
ACD/KOC (pH 5.5): 1500.49
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.15
ACD/KOC (pH 7.4): 1500.49
Polar Surface Area: 72 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 410.9±3.0 cm3

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