Chemical Properties of Fumaric acid, di(2,3-dimethylphenyl) ester

InChI

InChI=1S/C20H20O4/c1-13-7-5-9-17(15(13)3)23-19(21)11-12-20(22)24-18-10-6-8-14(2)16(18)4/h5-12H,1-4H3/b12-11-

InChI Key

CSQSWVWAKAKXKA-VAWYXSNFSA-N

Formula

C20H20O4

SMILES

Cc1cccc(OC(=O)/C=C/C(=O)Oc2cccc(C)c2C)c1C

Molecular Weight¹

324.38

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8138		Relay (1.0) Calculated Property
ΔfG°	-236.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-556.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.02	kJ/mol	Joback Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
log10WS	-5.64		Relay (1.0) Calculated Property
logPoct/wat	3.987		Crippen Calculated Property
McVol	255.720	ml/mol	McGowan Calculated Property
Pc	1633.81	kPa	Joback Calculated Property
Inp	[2649.00; 2649.00]
Inp	2649.00		NIST
Inp	2649.00		NIST
Tboil	644.49	K	Relay (1.0) Calculated Property
Tc	924.84	K	Relay (1.0) Calculated Property
Tfus	413.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions 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	[741.19; 804.63]	J/mol×K	[851.08; 1079.76]
Cp,gas	741.19	J/mol×K	851.08	Joback Calculated Property
Cp,gas	754.95	J/mol×K	889.19	Joback Calculated Property
Cp,gas	767.39	J/mol×K	927.31	Joback Calculated Property
Cp,gas	778.54	J/mol×K	965.42	Joback Calculated Property
Cp,gas	788.44	J/mol×K	1003.53	Joback Calculated Property
Cp,gas	797.12	J/mol×K	1041.65	Joback Calculated Property
Cp,gas	804.63	J/mol×K	1079.76	Joback Calculated Property
η	[0.0000391; 0.0004083]	Pa×s	[497.66; 851.08]
η	0.0004083	Pa×s	497.66	Joback Calculated Property
η	0.0002246	Pa×s	556.56	Joback Calculated Property
η	0.0001385	Pa×s	615.47	Joback Calculated Property
η	0.0000929	Pa×s	674.37	Joback Calculated Property
η	0.0000665	Pa×s	733.27	Joback Calculated Property
η	0.0000500	Pa×s	792.18	Joback Calculated Property
η	0.0000391	Pa×s	851.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, di(2,3-dimethylphenyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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