Chemical Properties of Fumaric acid, 2,4,6-trichlorophenyl 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C15H13Cl3O4/c1-9(2)5-6-21-13(19)3-4-14(20)22-15-11(17)7-10(16)8-12(15)18/h3-5,7-8H,6H2,1-2H3/b4-3+

InChI Key

VTQFBEXHYFXHSG-ONEGZZNKSA-N

Formula

C15H13Cl3O4

SMILES

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

Molecular Weight¹

363.62

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-192.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-462.98	kJ/mol	Joback Calculated Property
ΔfusH°	44.74	kJ/mol	Joback Calculated Property
ΔvapH°	84.71	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	4.618		Crippen Calculated Property
McVol	241.450	ml/mol	McGowan Calculated Property
Pc	1920.30	kPa	Joback Calculated Property
Inp	[2374.00; 2374.00]
Inp	2374.00		NIST
Inp	2374.00		NIST
Tboil	857.29	K	Joback Calculated Property
Tc	1088.20	K	Joback Calculated Property
Tfus	532.75	K	Joback Calculated Property
Vc	0.923	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.47; 660.02]	J/mol×K	[857.29; 1088.20]
Cp,gas	609.47	J/mol×K	857.29	Joback Calculated Property
Cp,gas	619.89	J/mol×K	895.78	Joback Calculated Property
Cp,gas	629.47	J/mol×K	934.26	Joback Calculated Property
Cp,gas	638.23	J/mol×K	972.75	Joback Calculated Property
Cp,gas	646.21	J/mol×K	1011.23	Joback Calculated Property
Cp,gas	653.47	J/mol×K	1049.72	Joback Calculated Property
Cp,gas	660.02	J/mol×K	1088.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl 3-methylbut-2-en-1-yl ester.

Sources

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

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