Chemical Properties of Fumaric acid, 2-ethylhexyl hex-4-yn-3-yl ester

InChI

InChI=1S/C18H28O4/c1-5-9-11-15(7-3)14-21-17(19)12-13-18(20)22-16(8-4)10-6-2/h12-13,15-16H,5,7-9,11,14H2,1-4H3/b13-12+

InChI Key

WEHJCDUZBXYJRK-OUKQBFOZSA-N

Formula

C18H28O4

SMILES

CC#CC(CC)OC(=O)C=CC(=O)OCC(CC)CCCC

Molecular Weight¹

308.41

• 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°	-89.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-525.49	kJ/mol	Joback Calculated Property
ΔfusH°	44.23	kJ/mol	Joback Calculated Property
ΔvapH°	75.31	kJ/mol	Joback Calculated Property
log10WS	-4.60		Crippen Calculated Property
logPoct/wat	3.647		Crippen Calculated Property
McVol	266.460	ml/mol	McGowan Calculated Property
Pc	1450.14	kPa	Joback Calculated Property
Inp	[2079.00; 2079.00]
Inp	2079.00		NIST
Inp	2079.00		NIST
Tboil	776.10	K	Joback Calculated Property
Tc	973.70	K	Joback Calculated Property
Tfus	507.96	K	Joback Calculated Property
Vc	1.022	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[778.28; 863.49]	J/mol×K	[776.10; 973.70]
Cp,gas	778.28	J/mol×K	776.10	Joback Calculated Property
Cp,gas	794.85	J/mol×K	809.03	Joback Calculated Property
Cp,gas	810.44	J/mol×K	841.97	Joback Calculated Property
Cp,gas	825.08	J/mol×K	874.90	Joback Calculated Property
Cp,gas	838.79	J/mol×K	907.83	Joback Calculated Property
Cp,gas	851.58	J/mol×K	940.76	Joback Calculated Property
Cp,gas	863.49	J/mol×K	973.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-ethylhexyl hex-4-yn-3-yl ester.

Sources

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

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