Chemical Properties of 6-Phenylhexa-3,5-dien-2-one

InChI

InChI=1S/C12H12O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-10H,1H3/b7-5+,10-6-

InChI Key

PRNUCJKOERXADE-YLNKAEQOSA-N

Formula

C12H12O

SMILES

CC(=O)/C=C/C=C/c1ccccc1

Molecular Weight¹

172.23

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.71; 447.75]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.29300e+01
Coefficient B			1.07692e+00
Coefficient C			-8.09100e-04
Coefficient D			2.42860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.71	J/mol×K	273.00	Calculated Property
Cp,gas	227.55	J/mol×K	353.78	Calculated Property
Cp,gas	272.19	J/mol×K	434.56	Calculated Property
Cp,gas	310.41	J/mol×K	515.33	Calculated Property
Cp,gas	342.97	J/mol×K	596.11	Calculated Property
Cp,gas	370.63	J/mol×K	676.89	Calculated Property
Cp,gas	394.18	J/mol×K	757.67	Calculated Property
Cp,gas	414.37	J/mol×K	838.44	Calculated Property
Cp,gas	431.97	J/mol×K	919.22	Calculated Property
Cp,gas	447.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011297; 0.0001723]	Pa×s	[341.15; 553.42]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16882e+01
Coefficient B			1.67245e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			341.15
Temperature range, max.			553.42
η	0.0011297	Pa×s	341.15	Calculated Property
η	0.0008228	Pa×s	364.74	Calculated Property
η	0.0006228	Pa×s	388.32	Calculated Property
η	0.0004867	Pa×s	411.91	Calculated Property
η	0.0003906	Pa×s	435.49	Calculated Property
η	0.0003207	Pa×s	459.08	Calculated Property
η	0.0002684	Pa×s	482.66	Calculated Property
η	0.0002284	Pa×s	506.25	Calculated Property
η	0.0001971	Pa×s	529.84	Calculated Property
η	0.0001723	Pa×s	553.42	Calculated Property

Similar Compounds

Find more compounds similar to 6-Phenylhexa-3,5-dien-2-one.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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