Chemical Properties of Fumaric acid, 3,5-dimethylphenyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C18H13Cl3O4/c1-10-5-11(2)7-13(6-10)24-16(22)3-4-17(23)25-18-14(20)8-12(19)9-15(18)21/h3-9H,1-2H3/b4-3+

InChI Key

ATRFQQXXYJAUSH-ONEGZZNKSA-N

Formula

C18H13Cl3O4

SMILES

Cc1cc(C)cc(OC(=O)C=CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)c1

Molecular Weight¹

399.65

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.8611		Relay (1.0) Calculated Property
ΔfG°	-146.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-552.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.88	kJ/mol	Joback Calculated Property
ΔvapH°	114.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-7.28		Relay (1.0) Calculated Property
logPoct/wat	5.331		Crippen Calculated Property
McVol	264.260	ml/mol	McGowan Calculated Property
Pc	1848.33	kPa	Joback Calculated Property
Inp	[2794.00; 2794.00]
Inp	2794.00		NIST
Inp	2794.00		NIST
Tboil	636.84	K	Relay (1.0) Calculated Property
Tc	956.66	K	Relay (1.0) Calculated Property
Tfus	377.74	K	Relay (1.0) Calculated Property
Vc	0.930	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[695.73; 734.18]	J/mol×K	[958.53; 1205.09]
Cp,gas	695.73	J/mol×K	958.53	Joback Calculated Property
Cp,gas	704.90	J/mol×K	999.62	Joback Calculated Property
Cp,gas	712.92	J/mol×K	1040.72	Joback Calculated Property
Cp,gas	719.83	J/mol×K	1081.81	Joback Calculated Property
Cp,gas	725.65	J/mol×K	1122.90	Joback Calculated Property
Cp,gas	730.43	J/mol×K	1163.99	Joback Calculated Property
Cp,gas	734.18	J/mol×K	1205.09	Joback Calculated Property
η	[0.0000454; 0.0002255]	Pa×s	[637.06; 958.53]
η	0.0002255	Pa×s	637.06	Joback Calculated Property
η	0.0001557	Pa×s	690.64	Joback Calculated Property
η	0.0001133	Pa×s	744.22	Joback Calculated Property
η	0.0000861	Pa×s	797.80	Joback Calculated Property
η	0.0000678	Pa×s	851.37	Joback Calculated Property
η	0.0000548	Pa×s	904.95	Joback Calculated Property
η	0.0000454	Pa×s	958.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3,5-dimethylphenyl 2,4,6-trichlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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