Chemical Properties of Fumaric acid, butyl 2,3,4,5-tetrachlorophenyl ester

InChI

InChI=1S/C14H12Cl4O4/c1-2-3-6-21-10(19)4-5-11(20)22-9-7-8(15)12(16)14(18)13(9)17/h4-5,7H,2-3,6H2,1H3/b5-4+

InChI Key

MKDPKNSLVYULAO-SNAWJCMRSA-N

Formula

C14H12Cl4O4

SMILES

CCCCOC(=O)C=CC(=O)Oc1cc(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

386.06

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-699.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.23	kJ/mol	Joback Calculated Property
ΔvapH°	104.11	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.105		Crippen Calculated Property
McVol	243.900	ml/mol	McGowan Calculated Property
Pc	1769.87	kPa	Joback Calculated Property
Inp	[2572.00; 2572.00]
Inp	2572.00		NIST
Inp	2572.00		NIST
Tboil	625.81	K	Relay (1.0) Calculated Property
Tc	888.17	K	Relay (1.0) Calculated Property
Tfus	340.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[595.96; 637.72]	J/mol×K	[836.84; 1061.20]
Cp,gas	595.96	J/mol×K	836.84	Joback Calculated Property
Cp,gas	605.27	J/mol×K	874.23	Joback Calculated Property
Cp,gas	613.63	J/mol×K	911.63	Joback Calculated Property
Cp,gas	621.03	J/mol×K	949.02	Joback Calculated Property
Cp,gas	627.51	J/mol×K	986.41	Joback Calculated Property
Cp,gas	633.07	J/mol×K	1023.80	Joback Calculated Property
Cp,gas	637.72	J/mol×K	1061.20	Joback Calculated Property
η	[0.0000495; 0.0003944]	Pa×s	[523.30; 836.84]
η	0.0003944	Pa×s	523.30	Joback Calculated Property
η	0.0002386	Pa×s	575.56	Joback Calculated Property
η	0.0001569	Pa×s	627.81	Joback Calculated Property
η	0.0001100	Pa×s	680.07	Joback Calculated Property
η	0.0000812	Pa×s	732.33	Joback Calculated Property
η	0.0000624	Pa×s	784.58	Joback Calculated Property
η	0.0000495	Pa×s	836.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, butyl 2,3,4,5-tetrachlorophenyl 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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