Chemical Properties of Fumaric acid, 4-chlorobenzyl 2-ethylhexyl ester

InChI

InChI=1S/C19H25ClO4/c1-3-5-6-15(4-2)13-23-18(21)11-12-19(22)24-14-16-7-9-17(20)10-8-16/h7-12,15H,3-6,13-14H2,1-2H3/b12-11+

InChI Key

BIDFCDNQKMJUNC-VAWYXSNFSA-N

Formula

C19H25ClO4

SMILES

CCCCC(CC)COC(=O)C=CC(=O)OCc1ccc(Cl)cc1

Molecular Weight¹

352.85

• 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	0.8539		Relay (1.0) Calculated Property
ΔfG°	-190.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-747.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.07	kJ/mol	Joback Calculated Property
ΔvapH°	103.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-5.99		Relay (1.0) Calculated Property
logPoct/wat	4.699		Crippen Calculated Property
McVol	277.630	ml/mol	McGowan Calculated Property
Pc	1466.85	kPa	Joback Calculated Property
Inp	[2516.00; 2516.00]
Inp	2516.00		NIST
Inp	2516.00		NIST
Tboil	638.89	K	Relay (1.0) Calculated Property
Tc	838.56	K	Relay (1.0) Calculated Property
Tfus	270.20	K	Relay (1.0) Calculated Property
Vc	0.967	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[819.88; 891.02]	J/mol×K	[859.51; 1070.28]
Cp,gas	819.88	J/mol×K	859.51	Joback Calculated Property
Cp,gas	834.30	J/mol×K	894.64	Joback Calculated Property
Cp,gas	847.65	J/mol×K	929.77	Joback Calculated Property
Cp,gas	859.96	J/mol×K	964.89	Joback Calculated Property
Cp,gas	871.26	J/mol×K	1000.02	Joback Calculated Property
Cp,gas	881.61	J/mol×K	1035.15	Joback Calculated Property
Cp,gas	891.02	J/mol×K	1070.28	Joback Calculated Property
η	[0.0000436; 0.0005579]	Pa×s	[496.99; 859.51]
η	0.0005579	Pa×s	496.99	Joback Calculated Property
η	0.0002898	Pa×s	557.41	Joback Calculated Property
η	0.0001711	Pa×s	617.83	Joback Calculated Property
η	0.0001109	Pa×s	678.25	Joback Calculated Property
η	0.0000772	Pa×s	738.67	Joback Calculated Property
η	0.0000568	Pa×s	799.09	Joback Calculated Property
η	0.0000436	Pa×s	859.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 4-chlorobenzyl 2-ethylhexyl ester.

Sources

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

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