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

InChI

InChI=1S/C22H24O4/c1-3-9-17-11-5-7-13-19(17)25-21(23)15-16-22(24)26-20-14-8-6-12-18(20)10-4-2/h5-8,11-16H,3-4,9-10H2,1-2H3/b16-15-

InChI Key

RICHKLPZEZIMAK-FOCLMDBBSA-N

Formula

C22H24O4

SMILES

CCCc1ccccc1OC(=O)/C=C/C(=O)Oc1ccccc1CCC

Molecular Weight¹

352.43

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9207		Relay (1.0) Calculated Property
ΔfusH°	48.98	kJ/mol	Joback Calculated Property
ΔvapH°	116.97	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.659		Crippen Calculated Property
McVol	283.900	ml/mol	McGowan Calculated Property
Pc	1439.16	kPa	Joback Calculated Property
Inp	[2567.00; 2567.00]
Inp	2567.00		NIST
Inp	2567.00		NIST
Tboil	661.19	K	Relay (1.0) Calculated Property
Tc	912.76	K	Relay (1.0) Calculated Property
Tfus	360.92	K	Relay (1.0) Calculated Property
Vc	1.016	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[858.05; 923.74]	J/mol×K	[886.88; 1110.16]
Cp,gas	858.05	J/mol×K	886.88	Joback Calculated Property
Cp,gas	872.15	J/mol×K	924.09	Joback Calculated Property
Cp,gas	884.92	J/mol×K	961.31	Joback Calculated Property
Cp,gas	896.40	J/mol×K	998.52	Joback Calculated Property
Cp,gas	906.66	J/mol×K	1035.73	Joback Calculated Property
Cp,gas	915.76	J/mol×K	1072.95	Joback Calculated Property
Cp,gas	923.74	J/mol×K	1110.16	Joback Calculated Property
η	[0.0000287; 0.0004571]	Pa×s	[495.16; 886.88]
η	0.0004571	Pa×s	495.16	Joback Calculated Property
η	0.0002203	Pa×s	560.45	Joback Calculated Property
η	0.0001237	Pa×s	625.73	Joback Calculated Property
η	0.0000774	Pa×s	691.02	Joback Calculated Property
η	0.0000526	Pa×s	756.31	Joback Calculated Property
η	0.0000379	Pa×s	821.59	Joback Calculated Property
η	0.0000287	Pa×s	886.88	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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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