Chemical Properties of 5-Methyl-1-phenyl-1-hexen-3-one, trans

InChI

InChI=1S/C13H16O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8-

InChI Key

LLVCDRTZBYXKII-CMDGGOBGSA-N

Formula

C13H16O

SMILES

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

Molecular Weight¹

188.27

• 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).
• 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	[210.61; 530.46]	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			-5.13390e+01
Coefficient B			1.15784e+00
Coefficient C			-7.82900e-04
Coefficient D			2.06860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.61	J/mol×K	273.00	Calculated Property
Cp,gas	269.45	J/mol×K	353.78	Calculated Property
Cp,gas	320.94	J/mol×K	434.56	Calculated Property
Cp,gas	365.73	J/mol×K	515.33	Calculated Property
Cp,gas	404.48	J/mol×K	596.11	Calculated Property
Cp,gas	437.84	J/mol×K	676.89	Calculated Property
Cp,gas	466.46	J/mol×K	757.67	Calculated Property
Cp,gas	491.00	J/mol×K	838.44	Calculated Property
Cp,gas	512.12	J/mol×K	919.22	Calculated Property
Cp,gas	530.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037099; 0.0001877]	Pa×s	[292.54; 559.82]	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			-1.18461e+01
Coefficient B			1.82819e+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.			292.54
Temperature range, max.			559.82
η	0.0037099	Pa×s	292.54	Calculated Property
η	0.0020856	Pa×s	322.24	Calculated Property
η	0.0012921	Pa×s	351.94	Calculated Property
η	0.0008625	Pa×s	381.63	Calculated Property
η	0.0006103	Pa×s	411.33	Calculated Property
η	0.0004524	Pa×s	441.03	Calculated Property
η	0.0003483	Pa×s	470.73	Calculated Property
η	0.0002766	Pa×s	500.43	Calculated Property
η	0.0002254	Pa×s	530.13	Calculated Property
η	0.0001877	Pa×s	559.82	Calculated Property

Similar Compounds

Find more compounds similar to 5-Methyl-1-phenyl-1-hexen-3-one, trans.

Sources

• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.