Chemical Properties of 1-(4-Hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione

InChI

InChI=1S/C19H26O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h9-13,22H,3-8,14H2,1-2H3/b11-9+

InChI Key

QOJHXMDTWFYFRL-PKNBQFBNSA-N

Formula

C19H26O4

SMILES

CCCCCCCC(=O)CC(=O)/C=C/c1ccc(O)c(OC)c1

Molecular Weight¹

318.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[373.98; 866.37]	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			-1.68730e+01
Coefficient B			1.72584e+00
Coefficient C			-1.16572e-03
Coefficient D			3.23120e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	373.98	J/mol×K	273.00	Calculated Property
Cp,gas	462.10	J/mol×K	353.78	Calculated Property
Cp,gas	539.48	J/mol×K	434.56	Calculated Property
Cp,gas	607.15	J/mol×K	515.33	Calculated Property
Cp,gas	666.13	J/mol×K	596.11	Calculated Property
Cp,gas	717.43	J/mol×K	676.89	Calculated Property
Cp,gas	762.09	J/mol×K	757.67	Calculated Property
Cp,gas	801.11	J/mol×K	838.44	Calculated Property
Cp,gas	835.53	J/mol×K	919.22	Calculated Property
Cp,gas	866.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000786; 0.0000078]	Pa×s	[571.56; 766.70]	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			-1.85237e+01
Coefficient B			5.18513e+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.			571.56
Temperature range, max.			766.70
η	0.0000786	Pa×s	571.56	Calculated Property
η	0.0000564	Pa×s	593.24	Calculated Property
η	0.0000414	Pa×s	614.92	Calculated Property
η	0.0000311	Pa×s	636.61	Calculated Property
η	0.0000238	Pa×s	658.29	Calculated Property
η	0.0000185	Pa×s	679.97	Calculated Property
η	0.0000146	Pa×s	701.65	Calculated Property
η	0.0000117	Pa×s	723.33	Calculated Property
η	0.0000095	Pa×s	745.02	Calculated Property
η	0.0000078	Pa×s	766.70	Calculated Property

Similar Compounds

Find more compounds similar to 1-(4-Hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione.

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

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