Chemical Properties of Fumaric acid, 2-chlorophenyl 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C15H15ClO4/c1-11(2)9-10-19-14(17)7-8-15(18)20-13-6-4-3-5-12(13)16/h3-9H,10H2,1-2H3/b8-7+

InChI Key

QQFACAHRIJYMLK-BQYQJAHWSA-N

Formula

C15H15ClO4

SMILES

CC(C)=CCOC(=O)C=CC(=O)Oc1ccccc1Cl

Molecular Weight¹

294.73

• 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°	-149.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-408.56	kJ/mol	Joback Calculated Property
ΔfusH°	37.12	kJ/mol	Joback Calculated Property
ΔvapH°	74.62	kJ/mol	Joback Calculated Property
log10WS	-3.97		Crippen Calculated Property
logPoct/wat	3.311		Crippen Calculated Property
McVol	216.970	ml/mol	McGowan Calculated Property
Pc	2108.07	kPa	Joback Calculated Property
Inp	[2126.00; 2126.00]
Inp	2126.00		NIST
Inp	2126.00		NIST
Tboil	772.47	K	Joback Calculated Property
Tc	996.23	K	Joback Calculated Property
Tfus	447.87	K	Joback Calculated Property
Vc	0.826	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[569.32; 632.68]	J/mol×K	[772.47; 996.23]
Cp,gas	569.32	J/mol×K	772.47	Joback Calculated Property
Cp,gas	582.05	J/mol×K	809.76	Joback Calculated Property
Cp,gas	593.84	J/mol×K	847.06	Joback Calculated Property
Cp,gas	604.76	J/mol×K	884.35	Joback Calculated Property
Cp,gas	614.84	J/mol×K	921.64	Joback Calculated Property
Cp,gas	624.13	J/mol×K	958.94	Joback Calculated Property
Cp,gas	632.68	J/mol×K	996.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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