ChemSpider 2D Image | 4-[(2-Octanyloxy)carbonyl]phenyl 2-[(3S)-3-hexanyloxy]benzoate | C28H38O5

4-[(2-Octanyloxy)carbonyl]phenyl 2-[(3S)-3-hexanyloxy]benzoate

  • Molecular FormulaC28H38O5
  • Average mass454.598 Da
  • Monoisotopic mass454.271912 Da
  • ChemSpider ID24609197

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-[(3S)-3-Hexanyloxy]benzoate de 4-[(2-octanyloxy)carbonyl]phényle [French] [ACD/IUPAC Name]
4-[(2-Octanyloxy)carbonyl]phenyl 2-[(3S)-3-hexanyloxy]benzoate [ACD/IUPAC Name]
4-[(2-Octanyloxy)carbonyl]phenyl-2-[(3S)-3-hexanyloxy]benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-[(1S)-1-ethylbutoxy]-, 4-[[(1-methylheptyl)oxy]carbonyl]phenyl ester [ACD/Index Name]
87321-20-8 [RN]
S-(+)-2-Octyl 4-(4-hexyloxybenzoyloxy)benzoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 562.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 237.1±26.0 °C
Index of Refraction: 1.520
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 9.56
ACD/LogD (pH 5.5): 8.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1289522.13
ACD/LogD (pH 7.4): 8.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1289522.13
Polar Surface Area: 62 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 433.6±3.0 cm3

Click to predict properties on the Chemicalize site


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