ChemSpider 2D Image | 1,2-Propanediyl (2S,2'S)bis[2-(3-benzoylphenyl)propanoate] | C35H32O6

1,2-Propanediyl (2S,2'S)bis[2-(3-benzoylphenyl)propanoate]

  • Molecular FormulaC35H32O6
  • Average mass548.625 Da
  • Monoisotopic mass548.219910 Da
  • ChemSpider ID52324387

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,2'S)Bis[2-(3-benzoylphényl)propanoate] de 1,2-propanediyle [French] [ACD/IUPAC Name]
1,2-Propandiyl-(2S,2'S)bis[2-(3-benzoylphenyl)propanoat] [German] [ACD/IUPAC Name]
1,2-Propanediyl (2S,2'S)bis[2-(3-benzoylphenyl)propanoate] [ACD/IUPAC Name]
Benzeneacetic acid, 3-benzoyl-α-methyl-, 1-methyl-1,2-ethanediyl ester, (αS)- [ACD/Index Name]
2-[(2S)-2-(3-benzoylphenyl)propanoyl]oxypropyl (2S)-2-(3-benzoylphenyl)propanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 279.0±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 155.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 40859.61
ACD/KOC (pH 5.5): 69558.09
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 40859.61
ACD/KOC (pH 7.4): 69558.09
Polar Surface Area: 87 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 463.6±3.0 cm3

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