Chemical Properties of (E)-1-(2',4',5'-Trimethoxyphenyl)butadiene

InChI

InChI=1S/C13H16O3/c1-5-6-7-10-8-11(14-2)13(16-4)12(9-10)15-3/h5-9H,1H2,2-4H3/b7-6+

InChI Key

UAJSTXIBAXZQQK-VOTSOKGWSA-N

Formula

C13H16O3

SMILES

C=CC=Cc1cc(OC)c(OC)c(OC)c1

Molecular Weight¹

220.26

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[254.06; 558.77]	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			5.93900e+01
Coefficient B			7.91860e-01
Coefficient C			-2.87180e-04
Coefficient D			-5.30000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	254.06	J/mol×K	273.00	Calculated Property
Cp,gas	303.35	J/mol×K	353.78	Calculated Property
Cp,gas	348.83	J/mol×K	434.56	Calculated Property
Cp,gas	390.47	J/mol×K	515.33	Calculated Property
Cp,gas	428.25	J/mol×K	596.11	Calculated Property
Cp,gas	462.17	J/mol×K	676.89	Calculated Property
Cp,gas	492.19	J/mol×K	757.67	Calculated Property
Cp,gas	518.31	J/mol×K	838.44	Calculated Property
Cp,gas	540.51	J/mol×K	919.22	Calculated Property
Cp,gas	558.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005839; 0.0001039]	Pa×s	[360.10; 569.39]	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			-1.21432e+01
Coefficient B			1.69151e+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.			360.10
Temperature range, max.			569.39
η	0.0005839	Pa×s	360.10	Calculated Property
η	0.0004391	Pa×s	383.35	Calculated Property
η	0.0003412	Pa×s	406.61	Calculated Property
η	0.0002724	Pa×s	429.86	Calculated Property
η	0.0002226	Pa×s	453.12	Calculated Property
η	0.0001855	Pa×s	476.37	Calculated Property
η	0.0001573	Pa×s	499.63	Calculated Property
η	0.0001353	Pa×s	522.88	Calculated Property
η	0.0001179	Pa×s	546.13	Calculated Property
η	0.0001039	Pa×s	569.39	Calculated Property

Similar Compounds

Find more compounds similar to (E)-1-(2',4',5'-Trimethoxyphenyl)butadiene.

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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