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

InChI

InChI=1S/C17H28O4/c1-5-7-8-15(6-2)13-21-17(19)10-9-16(18)20-12-11-14(3)4/h9-11,15H,5-8,12-13H2,1-4H3/b10-9+

InChI Key

OGSWJCBHEPFYDH-MDZDMXLPSA-N

Formula

C17H28O4

SMILES

CCCCC(CC)COC(=O)C=CC(=O)OCC=C(C)C

Molecular Weight¹

296.40

• 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°	-226.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-664.44	kJ/mol	Joback Calculated Property
ΔfusH°	40.93	kJ/mol	Joback Calculated Property
ΔvapH°	71.36	kJ/mol	Joback Calculated Property
log10WS	-4.13		Crippen Calculated Property
logPoct/wat	3.812		Crippen Calculated Property
McVol	256.670	ml/mol	McGowan Calculated Property
Pc	1433.72	kPa	Joback Calculated Property
Inp	[2028.00; 2028.00]
Inp	2028.00		NIST
Inp	2028.00		NIST
Tboil	748.70	K	Joback Calculated Property
Tc	937.95	K	Joback Calculated Property
Tfus	386.55	K	Joback Calculated Property
Vc	0.991	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[743.47; 828.62]	J/mol×K	[748.70; 937.95]
Cp,gas	743.47	J/mol×K	748.70	Joback Calculated Property
Cp,gas	759.75	J/mol×K	780.24	Joback Calculated Property
Cp,gas	775.16	J/mol×K	811.78	Joback Calculated Property
Cp,gas	789.72	J/mol×K	843.33	Joback Calculated Property
Cp,gas	803.47	J/mol×K	874.87	Joback Calculated Property
Cp,gas	816.42	J/mol×K	906.41	Joback Calculated Property
Cp,gas	828.62	J/mol×K	937.95	Joback Calculated Property

Similar Compounds

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

Sources

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

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