Chemical Properties of Fumaric acid, 2,6-dimethoxyphenyl 3-methylbut-2-yl ester

InChI

InChI=1S/C17H22O6/c1-11(2)12(3)22-15(18)9-10-16(19)23-17-13(20-4)7-6-8-14(17)21-5/h6-12H,1-5H3/b10-9-

InChI Key

HHMNGYFMAWSUTA-MDZDMXLPSA-N

Formula

C17H22O6

SMILES

COc1cccc(OC)c1OC(=O)/C=C/C(=O)OC(C)C(C)C

Molecular Weight¹

322.36

• 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).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.32	kJ/mol	Joback Calculated Property
log10WS	-3.94		Relay (1.0) Calculated Property
logPoct/wat	2.753		Crippen Calculated Property
McVol	248.950	ml/mol	McGowan Calculated Property
Inp	[2267.00; 2267.00]
Inp	2267.00		NIST
Inp	2267.00		NIST

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 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	[362.81; 795.48]	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			6.64000e+01
Coefficient B			1.21680e+00
Coefficient C			-4.77120e-04
Coefficient D			-1.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	362.81	J/mol×K	273.00	Calculated Property
Cp,gas	436.69	J/mol×K	353.78	Calculated Property
Cp,gas	504.20	J/mol×K	434.56	Calculated Property
Cp,gas	565.30	J/mol×K	515.33	Calculated Property
Cp,gas	619.96	J/mol×K	596.11	Calculated Property
Cp,gas	668.14	J/mol×K	676.89	Calculated Property
Cp,gas	709.82	J/mol×K	757.67	Calculated Property
Cp,gas	744.96	J/mol×K	838.44	Calculated Property
Cp,gas	773.52	J/mol×K	919.22	Calculated Property
Cp,gas	795.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006297; 0.0000444]	Pa×s	[426.85; 697.63]	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			-1.42053e+01
Coefficient B			2.91756e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			426.85
Temperature range, max.			697.63
η	0.0006297	Pa×s	426.85	Calculated Property
η	0.0004015	Pa×s	456.94	Calculated Property
η	0.0002706	Pa×s	487.02	Calculated Property
η	0.0001910	Pa×s	517.11	Calculated Property
η	0.0001400	Pa×s	547.20	Calculated Property
η	0.0001061	Pa×s	577.29	Calculated Property
η	0.0000826	Pa×s	607.37	Calculated Property
η	0.0000658	Pa×s	637.46	Calculated Property
η	0.0000536	Pa×s	667.55	Calculated Property
η	0.0000444	Pa×s	697.63	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl 3-methylbut-2-yl ester.

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.
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