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

InChI

InChI=1S/C16H17ClO4/c1-12(2)9-10-20-15(18)7-8-16(19)21-11-13-3-5-14(17)6-4-13/h3-9H,10-11H2,1-2H3/b8-7+

InChI Key

PEKUSRMEMWLCTM-BQYQJAHWSA-N

Formula

C16H17ClO4

SMILES

CC(C)=CCOC(=O)C=CC(=O)OCc1ccc(Cl)cc1

Molecular Weight¹

308.76

• 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°	-141.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-429.20	kJ/mol	Joback Calculated Property
ΔfusH°	39.71	kJ/mol	Joback Calculated Property
ΔvapH°	76.84	kJ/mol	Joback Calculated Property
log10WS	-4.24		Crippen Calculated Property
logPoct/wat	3.449		Crippen Calculated Property
McVol	231.060	ml/mol	McGowan Calculated Property
Pc	1933.83	kPa	Joback Calculated Property
Inp	[2298.00; 2298.00]
Inp	2298.00		NIST
Inp	2298.00		NIST
Tboil	795.35	K	Joback Calculated Property
Tc	1016.12	K	Joback Calculated Property
Tfus	459.14	K	Joback Calculated Property
Vc	0.881	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.46; 688.89]	J/mol×K	[795.35; 1016.12]
Cp,gas	623.46	J/mol×K	795.35	Joback Calculated Property
Cp,gas	636.57	J/mol×K	832.15	Joback Calculated Property
Cp,gas	648.73	J/mol×K	868.94	Joback Calculated Property
Cp,gas	659.99	J/mol×K	905.74	Joback Calculated Property
Cp,gas	670.41	J/mol×K	942.53	Joback Calculated Property
Cp,gas	680.02	J/mol×K	979.33	Joback Calculated Property
Cp,gas	688.89	J/mol×K	1016.12	Joback Calculated Property

Similar Compounds

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

Sources

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

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