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

InChI

InChI=1S/C18H21Cl3O4/c1-3-5-6-12(4-2)11-24-16(22)7-8-17(23)25-18-14(20)9-13(19)10-15(18)21/h7-10,12H,3-6,11H2,1-2H3/b8-7-

InChI Key

QJGOSRJMONNBOU-FPLPWBNLSA-N

Formula

C18H21Cl3O4

SMILES

CCCCC(CC)COC(=O)/C=C/C(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

407.72

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	50.09	kJ/mol	Joback Calculated Property
log10WS	-7.25		Relay (1.0) Calculated Property
logPoct/wat	5.868		Crippen Calculated Property
McVol	288.020	ml/mol	McGowan Calculated Property
Pc	1457.90	kPa	Joback Calculated Property
Inp	[2597.00; 2597.00]
Inp	2597.00		NIST
Inp	2597.00		NIST
Tboil	622.34	K	Relay (1.0) Calculated Property
Tfus	311.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[806.41; 861.63]	J/mol×K	[921.45; 1142.93]
Cp,gas	806.41	J/mol×K	921.45	Joback Calculated Property
Cp,gas	818.15	J/mol×K	958.36	Joback Calculated Property
Cp,gas	828.83	J/mol×K	995.28	Joback Calculated Property
Cp,gas	838.49	J/mol×K	1032.19	Joback Calculated Property
Cp,gas	847.16	J/mol×K	1069.10	Joback Calculated Property
Cp,gas	854.86	J/mol×K	1106.02	Joback Calculated Property
Cp,gas	861.63	J/mol×K	1142.93	Joback Calculated Property
η	[0.0000382; 0.0003122]	Pa×s	[570.60; 921.45]
η	0.0003122	Pa×s	570.60	Joback Calculated Property
η	0.0001869	Pa×s	629.08	Joback Calculated Property
η	0.0001221	Pa×s	687.55	Joback Calculated Property
η	0.0000853	Pa×s	746.02	Joback Calculated Property
η	0.0000627	Pa×s	804.50	Joback Calculated Property
η	0.0000481	Pa×s	862.97	Joback Calculated Property
η	0.0000382	Pa×s	921.45	Joback Calculated Property

Similar Compounds

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