Chemical Properties of Fumaric acid, ethyl 2-propylphenyl ester

InChI

InChI=1S/C15H18O4/c1-3-7-12-8-5-6-9-13(12)19-15(17)11-10-14(16)18-4-2/h5-6,8-11H,3-4,7H2,1-2H3/b11-10+

InChI Key

DMSJLMOZKHOUPH-ZHACJKMWSA-N

Formula

C15H18O4

SMILES

CCCc1ccccc1OC(=O)C=CC(=O)OCC

Molecular Weight¹

262.30

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.20	kJ/mol	Joback Calculated Property
log10WS	-4.19		Relay (1.0) Calculated Property
logPoct/wat	2.664		Crippen Calculated Property
McVol	209.030	ml/mol	McGowan Calculated Property
Inp	[1872.00; 1872.00]
Inp	1872.00		NIST
Inp	1872.00		NIST
Tboil	582.83	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 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	[287.65; 657.26]	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			6.28300e+00
Coefficient B			1.20084e+00
Coefficient C			-6.50960e-04
Coefficient D			1.01100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.65	J/mol×K	273.00	Calculated Property
Cp,gas	354.12	J/mol×K	353.78	Calculated Property
Cp,gas	413.48	J/mol×K	434.56	Calculated Property
Cp,gas	466.08	J/mol×K	515.33	Calculated Property
Cp,gas	512.22	J/mol×K	596.11	Calculated Property
Cp,gas	552.22	J/mol×K	676.89	Calculated Property
Cp,gas	586.40	J/mol×K	757.67	Calculated Property
Cp,gas	615.09	J/mol×K	838.44	Calculated Property
Cp,gas	638.61	J/mol×K	919.22	Calculated Property
Cp,gas	657.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014356; 0.0001043]	Pa×s	[377.33; 631.11]	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			-1.30675e+01
Coefficient B			2.46068e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			377.33
Temperature range, max.			631.11
η	0.0014356	Pa×s	377.33	Calculated Property
η	0.0009122	Pa×s	405.53	Calculated Property
η	0.0006148	Pa×s	433.73	Calculated Property
η	0.0004349	Pa×s	461.92	Calculated Property
η	0.0003201	Pa×s	490.12	Calculated Property
η	0.0002436	Pa×s	518.32	Calculated Property
η	0.0001907	Pa×s	546.52	Calculated Property
η	0.0001529	Pa×s	574.72	Calculated Property
η	0.0001251	Pa×s	602.92	Calculated Property
η	0.0001043	Pa×s	631.11	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, ethyl 2-propylphenyl 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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