Chemical Properties of Fumaric acid, 2-methoxyphenyl hept-2-yl ester

InChI

InChI=1S/C18H24O5/c1-4-5-6-9-14(2)22-17(19)12-13-18(20)23-16-11-8-7-10-15(16)21-3/h7-8,10-14H,4-6,9H2,1-3H3/b13-12+

InChI Key

BVYKTVGDCDTAGA-OUKQBFOZSA-N

Formula

C18H24O5

SMILES

CCCCCC(C)OC(=O)/C=C/C(=O)Oc1ccccc1OC

Molecular Weight¹

320.38

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.63	kJ/mol	Joback Calculated Property
logPoct/wat	3.669		Crippen Calculated Property
McVol	257.170	ml/mol	McGowan Calculated Property
Inp	[2278.00; 2278.00]
Inp	2278.00		NIST
Inp	2278.00		NIST
Tboil	615.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[366.38; 831.07]	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			2.73740e+01
Coefficient B			1.42856e+00
Coefficient C			-7.06360e-04
Coefficient D			8.15000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	366.38	J/mol×K	273.00	Calculated Property
Cp,gas	447.97	J/mol×K	353.78	Calculated Property
Cp,gas	521.46	J/mol×K	434.56	Calculated Property
Cp,gas	587.13	J/mol×K	515.33	Calculated Property
Cp,gas	645.21	J/mol×K	596.11	Calculated Property
Cp,gas	695.99	J/mol×K	676.89	Calculated Property
Cp,gas	739.70	J/mol×K	757.67	Calculated Property
Cp,gas	776.62	J/mol×K	838.44	Calculated Property
Cp,gas	806.99	J/mol×K	919.22	Calculated Property
Cp,gas	831.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008713; 0.0000561]	Pa×s	[418.37; 691.88]	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			-1.39845e+01
Coefficient B			2.90307e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			418.37
Temperature range, max.			691.88
η	0.0008713	Pa×s	418.37	Calculated Property
η	0.0005446	Pa×s	448.76	Calculated Property
η	0.0003613	Pa×s	479.15	Calculated Property
η	0.0002518	Pa×s	509.54	Calculated Property
η	0.0001827	Pa×s	539.93	Calculated Property
η	0.0001372	Pa×s	570.32	Calculated Property
η	0.0001060	Pa×s	600.71	Calculated Property
η	0.0000840	Pa×s	631.10	Calculated Property
η	0.0000680	Pa×s	661.49	Calculated Property
η	0.0000561	Pa×s	691.88	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-methoxyphenyl hept-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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