Chemical Properties of Fumaric acid, 2,4-dichlorophenyl 3-methylbut-2-yl ester

InChI

InChI=1S/C15H16Cl2O4/c1-9(2)10(3)20-14(18)6-7-15(19)21-13-5-4-11(16)8-12(13)17/h4-10H,1-3H3/b7-6+

InChI Key

OGYGXLXKIAPJHA-VOTSOKGWSA-N

Formula

C15H16Cl2O4

SMILES

CC(C)C(C)OC(=O)C=CC(=O)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

331.19

• 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).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.99	kJ/mol	Joback Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-5.18		Relay (1.0) Calculated Property
logPoct/wat	4.043		Crippen Calculated Property
McVol	233.510	ml/mol	McGowan Calculated Property
Inp	[2166.00; 2166.00]
Inp	2166.00		NIST
Inp	2166.00		NIST
Tboil	588.13	K	Relay (1.0) Calculated Property
Tfus	343.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[618.34; 677.52]	J/mol×K	[809.96; 1034.25]
Cp,gas	618.34	J/mol×K	809.96	Joback Calculated Property
Cp,gas	630.62	J/mol×K	847.34	Joback Calculated Property
Cp,gas	641.91	J/mol×K	884.72	Joback Calculated Property
Cp,gas	652.21	J/mol×K	922.11	Joback Calculated Property
Cp,gas	661.57	J/mol×K	959.49	Joback Calculated Property
Cp,gas	670.00	J/mol×K	996.87	Joback Calculated Property
Cp,gas	677.52	J/mol×K	1034.25	Joback Calculated Property
η	[0.0000614; 0.0006577]	Pa×s	[479.35; 809.96]
η	0.0006577	Pa×s	479.35	Joback Calculated Property
η	0.0003613	Pa×s	534.45	Joback Calculated Property
η	0.0002220	Pa×s	589.55	Joback Calculated Property
η	0.0001483	Pa×s	644.66	Joback Calculated Property
η	0.0001055	Pa×s	699.76	Joback Calculated Property
η	0.0000789	Pa×s	754.86	Joback Calculated Property
η	0.0000614	Pa×s	809.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dichlorophenyl 3-methylbut-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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