Chemical Properties of Fumaric acid, isohexyl 3-methylbut-3-enyl ester

InChI

InChI=1S/C15H24O4/c1-12(2)6-5-10-18-14(16)7-8-15(17)19-11-9-13(3)4/h7-8,12H,3,5-6,9-11H2,1-2,4H3/b8-7+

InChI Key

HIMJSEYQNBWVFQ-BQYQJAHWSA-N

Formula

C15H24O4

SMILES

C=C(C)CCOC(=O)C=CC(=O)OCCCC(C)C

Molecular Weight¹

268.35

• 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°	-235.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-614.95	kJ/mol	Joback Calculated Property
ΔfusH°	34.27	kJ/mol	Joback Calculated Property
ΔvapH°	66.28	kJ/mol	Joback Calculated Property
log10WS	-3.29		Crippen Calculated Property
logPoct/wat	3.031		Crippen Calculated Property
McVol	228.490	ml/mol	McGowan Calculated Property
Pc	1653.80	kPa	Joback Calculated Property
Inp	[1823.00; 1823.00]
Inp	1823.00		NIST
Inp	1823.00		NIST
Tboil	695.46	K	Joback Calculated Property
Tc	883.01	K	Joback Calculated Property
Tfus	367.33	K	Joback Calculated Property
Vc	0.879	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[630.92; 712.06]	J/mol×K	[695.46; 883.01]
Cp,gas	630.92	J/mol×K	695.46	Joback Calculated Property
Cp,gas	646.40	J/mol×K	726.72	Joback Calculated Property
Cp,gas	661.08	J/mol×K	757.98	Joback Calculated Property
Cp,gas	674.96	J/mol×K	789.24	Joback Calculated Property
Cp,gas	688.07	J/mol×K	820.49	Joback Calculated Property
Cp,gas	700.43	J/mol×K	851.75	Joback Calculated Property
Cp,gas	712.06	J/mol×K	883.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, isohexyl 3-methylbut-3-enyl ester.

Sources

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

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