Chemical Properties of (E)-1-(4-Hydroxy-3-methoxyphenyl)dodec-3-en-5-one

InChI

InChI=1S/C19H28O3/c1-3-4-5-6-7-11-17(20)12-9-8-10-16-13-14-18(21)19(15-16)22-2/h9,12-15,21H,3-8,10-11H2,1-2H3/b12-9+

InChI Key

ZZSJGFXDTNAIDC-FMIVXFBMSA-N

Formula

C19H28O3

SMILES

CCCCCCCC(=O)C=CCCc1ccc(O)c(OC)c1

Molecular Weight¹

304.42

• 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	[373.05; 877.35]	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			-2.42320e+01
Coefficient B			1.75384e+00
Coefficient C			-1.18442e-03
Coefficient D			3.32160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	373.05	J/mol×K	273.00	Calculated Property
Cp,gas	462.70	J/mol×K	353.78	Calculated Property
Cp,gas	541.50	J/mol×K	434.56	Calculated Property
Cp,gas	610.49	J/mol×K	515.33	Calculated Property
Cp,gas	670.73	J/mol×K	596.11	Calculated Property
Cp,gas	723.26	J/mol×K	676.89	Calculated Property
Cp,gas	769.14	J/mol×K	757.67	Calculated Property
Cp,gas	809.41	J/mol×K	838.44	Calculated Property
Cp,gas	845.13	J/mol×K	919.22	Calculated Property
Cp,gas	877.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001298; 0.0000092]	Pa×s	[521.63; 723.99]	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			-1.84176e+01
Coefficient B			4.93894e+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.			521.63
Temperature range, max.			723.99
η	0.0001298	Pa×s	521.63	Calculated Property
η	0.0000878	Pa×s	544.11	Calculated Property
η	0.0000612	Pa×s	566.60	Calculated Property
η	0.0000439	Pa×s	589.08	Calculated Property
η	0.0000323	Pa×s	611.57	Calculated Property
η	0.0000242	Pa×s	634.05	Calculated Property
η	0.0000186	Pa×s	656.54	Calculated Property
η	0.0000145	Pa×s	679.02	Calculated Property
η	0.0000115	Pa×s	701.51	Calculated Property
η	0.0000092	Pa×s	723.99	Calculated Property

Similar Compounds

Find more compounds similar to (E)-1-(4-Hydroxy-3-methoxyphenyl)dodec-3-en-5-one.

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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