Chemical Properties of Fumaric acid, 2,4,6-trichlorophenyl 4-chloro-3-methylphenyl ester

InChI

InChI=1S/C17H10Cl4O4/c1-9-6-11(2-3-12(9)19)24-15(22)4-5-16(23)25-17-13(20)7-10(18)8-14(17)21/h2-8H,1H3/b5-4+

InChI Key

OCWKLDKQHHBYFU-SNAWJCMRSA-N

Formula

C17H10Cl4O4

SMILES

Cc1cc(OC(=O)C=CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)ccc1Cl

Molecular Weight¹

420.07

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-166.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-413.84	kJ/mol	Joback Calculated Property
ΔfusH°	48.49	kJ/mol	Joback Calculated Property
ΔvapH°	97.11	kJ/mol	Joback Calculated Property
log10WS	-6.82		Crippen Calculated Property
logPoct/wat	5.676		Crippen Calculated Property
McVol	262.410	ml/mol	McGowan Calculated Property
Pc	1945.79	kPa	Joback Calculated Property
Inp	[2914.00; 2914.00]
Inp	2914.00		NIST
Inp	2914.00		NIST
Tboil	973.08	K	Joback Calculated Property
Tc	1225.02	K	Joback Calculated Property
Tfus	655.71	K	Joback Calculated Property
Vc	0.996	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[656.59; 687.06]	J/mol×K	[973.08; 1225.02]
Cp,gas	656.59	J/mol×K	973.08	Joback Calculated Property
Cp,gas	664.30	J/mol×K	1015.07	Joback Calculated Property
Cp,gas	670.91	J/mol×K	1057.06	Joback Calculated Property
Cp,gas	676.47	J/mol×K	1099.05	Joback Calculated Property
Cp,gas	680.99	J/mol×K	1141.04	Joback Calculated Property
Cp,gas	684.51	J/mol×K	1183.03	Joback Calculated Property
Cp,gas	687.06	J/mol×K	1225.02	Joback Calculated Property
η	[0.0000448; 0.0002116]	Pa×s	[655.71; 973.08]
η	0.0002116	Pa×s	655.71	Joback Calculated Property
η	0.0001484	Pa×s	708.61	Joback Calculated Property
η	0.0001093	Pa×s	761.50	Joback Calculated Property
η	0.0000837	Pa×s	814.39	Joback Calculated Property
η	0.0000663	Pa×s	867.29	Joback Calculated Property
η	0.0000539	Pa×s	920.19	Joback Calculated Property
η	0.0000448	Pa×s	973.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl 4-chloro-3-methylphenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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