Chemical Properties of Fumaric acid, 2-methoxyphenyl 3-chlorophenyl ester

InChI

InChI=1S/C17H13ClO5/c1-21-14-7-2-3-8-15(14)23-17(20)10-9-16(19)22-13-6-4-5-12(18)11-13/h2-11H,1H3/b10-9+

InChI Key

QHDKTLRSSROPPF-MDZDMXLPSA-N

Formula

C17H13ClO5

SMILES

COc1ccccc1OC(=O)C=CC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

332.74

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.25	kJ/mol	Joback Calculated Property
ΔvapH°	109.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-5.02		Relay (1.0) Calculated Property
logPoct/wat	3.416		Crippen Calculated Property
McVol	231.560	ml/mol	McGowan Calculated Property
Inp	[2524.00; 2524.00]
Inp	2524.00		NIST
Inp	2524.00		NIST
Tboil	647.52	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, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.22; 681.48]	J/mol×K	[868.27; 1108.40]
Cp,gas	632.22	J/mol×K	868.27	Joback Calculated Property
Cp,gas	643.41	J/mol×K	908.29	Joback Calculated Property
Cp,gas	653.38	J/mol×K	948.31	Joback Calculated Property
Cp,gas	662.14	J/mol×K	988.34	Joback Calculated Property
Cp,gas	669.73	J/mol×K	1028.36	Joback Calculated Property
Cp,gas	676.16	J/mol×K	1068.38	Joback Calculated Property
Cp,gas	681.48	J/mol×K	1108.40	Joback Calculated Property
η	[0.0000492; 0.0003341]	Pa×s	[550.62; 868.27]
η	0.0003341	Pa×s	550.62	Joback Calculated Property
η	0.0002111	Pa×s	603.56	Joback Calculated Property
η	0.0001436	Pa×s	656.50	Joback Calculated Property
η	0.0001035	Pa×s	709.44	Joback Calculated Property
η	0.0000781	Pa×s	762.39	Joback Calculated Property
η	0.0000611	Pa×s	815.33	Joback Calculated Property
η	0.0000492	Pa×s	868.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-methoxyphenyl 3-chlorophenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.