Chemical Properties of Fumaric acid, butyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C14H13Cl3O4/c1-2-3-6-20-12(18)4-5-13(19)21-14-10(16)7-9(15)8-11(14)17/h4-5,7-8H,2-3,6H2,1H3/b5-4+

InChI Key

FDIOBAMAUYBXQM-SNAWJCMRSA-N

Formula

C14H13Cl3O4

SMILES

CCCCOC(=O)C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

351.61

• 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	-665.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.26	kJ/mol	Joback Calculated Property
ΔvapH°	96.69	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.452		Crippen Calculated Property
McVol	231.660	ml/mol	McGowan Calculated Property
Pc	1987.66	kPa	Joback Calculated Property
Inp	[2271.00; 2271.00]
Inp	2271.00		NIST
Inp	2271.00		NIST
Tboil	586.14	K	Relay (1.0) Calculated Property
Tc	841.22	K	Relay (1.0) Calculated Property
Tfus	324.31	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	[582.90; 632.50]	J/mol×K	[830.37; 1054.44]
Cp,gas	582.90	J/mol×K	830.37	Joback Calculated Property
Cp,gas	593.31	J/mol×K	867.72	Joback Calculated Property
Cp,gas	602.84	J/mol×K	905.06	Joback Calculated Property
Cp,gas	611.51	J/mol×K	942.41	Joback Calculated Property
Cp,gas	619.33	J/mol×K	979.75	Joback Calculated Property
Cp,gas	626.32	J/mol×K	1017.10	Joback Calculated Property
Cp,gas	632.50	J/mol×K	1054.44	Joback Calculated Property
η	[0.0000737; 0.0004310]	Pa×s	[540.52; 830.37]
η	0.0004310	Pa×s	540.52	Joback Calculated Property
η	0.0002846	Pa×s	588.83	Joback Calculated Property
η	0.0002001	Pa×s	637.14	Joback Calculated Property
η	0.0001479	Pa×s	685.45	Joback Calculated Property
η	0.0001137	Pa×s	733.75	Joback Calculated Property
η	0.0000903	Pa×s	782.06	Joback Calculated Property
η	0.0000737	Pa×s	830.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, butyl 2,4,6-trichlorophenyl 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.