Chemical Properties of Fumaric acid, isobutyl 2,3,5,6-tetrachlorophenyl ester

InChI

InChI=1S/C14H12Cl4O4/c1-7(2)6-21-10(19)3-4-11(20)22-14-12(17)8(15)5-9(16)13(14)18/h3-5,7H,6H2,1-2H3/b4-3+

InChI Key

IRHRNSOQRLRWJR-ONEGZZNKSA-N

Formula

C14H12Cl4O4

SMILES

CC(C)COC(=O)C=CC(=O)Oc1c(Cl)c(Cl)cc(Cl)c1Cl

Molecular Weight¹

386.06

• 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).
• 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°	46.71	kJ/mol	Joback Calculated Property
ΔvapH°	99.62	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.52		Relay (1.0) Calculated Property
logPoct/wat	4.961		Crippen Calculated Property
McVol	243.900	ml/mol	McGowan Calculated Property
Inp	[2427.00; 2427.00]
Inp	2427.00		NIST
Inp	2427.00		NIST
Tboil	612.91	K	Relay (1.0) Calculated Property
Tfus	363.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[596.58; 638.43]	J/mol×K	[836.40; 1064.02]
Cp,gas	596.58	J/mol×K	836.40	Joback Calculated Property
Cp,gas	606.01	J/mol×K	874.34	Joback Calculated Property
Cp,gas	614.44	J/mol×K	912.27	Joback Calculated Property
Cp,gas	621.88	J/mol×K	950.21	Joback Calculated Property
Cp,gas	628.35	J/mol×K	988.15	Joback Calculated Property
Cp,gas	633.86	J/mol×K	1026.08	Joback Calculated Property
Cp,gas	638.43	J/mol×K	1064.02	Joback Calculated Property
η	[0.0000454; 0.0004376]	Pa×s	[508.30; 836.40]
η	0.0004376	Pa×s	508.30	Joback Calculated Property
η	0.0002497	Pa×s	562.98	Joback Calculated Property
η	0.0001574	Pa×s	617.67	Joback Calculated Property
η	0.0001069	Pa×s	672.35	Joback Calculated Property
η	0.0000770	Pa×s	727.03	Joback Calculated Property
η	0.0000580	Pa×s	781.72	Joback Calculated Property
η	0.0000454	Pa×s	836.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, isobutyl 2,3,5,6-tetrachlorophenyl 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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