Molecular FormulaC22H22O4 Average mass350.408 Da Monoisotopic mass350.151794 Da jamesmerse.com ID2885630


You are watching: 6 ethoxycarbonyl 3 5 diphenyl 2 cyclohexanone

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Systematic name

6-(Ethoxycarbonyl)-2,5-diphenyl-3-cyclohexene-1-carboxylic acid

SMILES

CCOC(=O)C1C(C=CC(C1C(=O)O)c2ccccc2)c3ccccc3 CopyCopied

Cite this record

CSID:2885630, http://www.jamesmerse.com/Chemical-Structure.2885630.html (accessed 03:59, Sep 26, 2021) CopyCopied


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Density: 1.2±0.1 g/cm3
Boiling Point: 515.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 179.0±23.6 °C
Index of Refraction: 1.579
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0

ACD/LogP: 4.91
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 77.52
ACD/KOC (pH 5.5): 299.63
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 5.45
Polar Surface Area: 64 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 294.5±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

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