Chemical Properties of 1-Phenyl-2-ethyl-2-propen-1-one

1-Phenyl-2-ethyl-2-propen-1-one

InChI
InChI=1S/C11H12O/c1-3-9(2)11(12)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
InChI Key
MUPSPIPPEPGJEY-UHFFFAOYSA-N
Formula
C11H12O
SMILES
C=C(CC)C(=O)c1ccccc1
Molecular Weight1
160.21
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Physical Properties

Property Value Unit Source
ω 0.4542 Relay (1.0) Calculated Property
ΔfG° 104.52 kJ/mol Joback Calculated Property
ΔfH°gas -30.51 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 17.30 kJ/mol Joback Calculated Property
ΔvapH° 63.48 kJ/mol Relay (1.0) Calculated Property
IE 9.06 eV Relay (1.0) Calculated Property
log10WS -3.02 Relay (1.0) Calculated Property
logPoct/wat 2.835 Crippen Calculated Property
McVol 139.360 ml/mol McGowan Calculated Property
Pc 2976.29 kPa Joback Calculated Property
Inp 1285.00 NIST
Tboil 508.95 K Relay (1.0) Calculated Property
Tc 723.35 K Relay (1.0) Calculated Property
Tfus 275.52 K Relay (1.0) Calculated Property
Vc 0.507 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [172.84; 428.54] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.63390e+01
Coefficient B9.21820e-01
Coefficient C-6.12300e-04
Coefficient D1.55360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 172.84 J/mol×K 273.00 Calculated Property
Cp,gas 220.02 J/mol×K 353.78 Calculated Property
Cp,gas 261.37 J/mol×K 434.56 Calculated Property
Cp,gas 297.36 J/mol×K 515.33 Calculated Property
Cp,gas 328.50 J/mol×K 596.11 Calculated Property
Cp,gas 355.27 J/mol×K 676.89 Calculated Property
Cp,gas 378.17 J/mol×K 757.67 Calculated Property
Cp,gas 397.69 J/mol×K 838.44 Calculated Property
Cp,gas 414.31 J/mol×K 919.22 Calculated Property
Cp,gas 428.54 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-Phenyl-2-(1-methylethyl)-2-propen-1-one. 2-PROPEN-1-ONE, 2-METHYL-1-PHENYL-. Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-, methyl ester. 2,3-Dimethyl-1-phenyl-2-buten-1-one. Phytonadione. Vitamin k1. 1-Butanone, 2-methyl-1-phenyl-. 1-Phenyl-2,2-bis(chloromethyl)-1-butanone. Menadione. 1-Phenyl-2-ethyl-1-propanon-3-ol. 1-Phenyl-2-(chloromethyl)-1-butanone. 1-Butanone, 1-phenyl-. Lapachol. 1-Cyclopentenylphenylmethane. 1,4-Naphthalenedione, 5-hydroxy-2-methyl-.

Find more compounds similar to 1-Phenyl-2-ethyl-2-propen-1-one.

Sources

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