Chemical Properties of Fumaric acid, 2-ethylbutyl but-3-yn-2-yl ester

InChI

InChI=1S/C14H20O4/c1-5-11(4)18-14(16)9-8-13(15)17-10-12(6-2)7-3/h1,8-9,11-12H,6-7,10H2,2-4H3/b9-8+

InChI Key

DNKIKGCRSROOPG-CMDGGOBGSA-N

Formula

C14H20O4

SMILES

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

Molecular Weight¹

252.31

• 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°	-102.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.33	kJ/mol	Joback Calculated Property
ΔfusH°	33.72	kJ/mol	Joback Calculated Property
ΔvapH°	64.11	kJ/mol	Joback Calculated Property
log10WS	-2.93		Crippen Calculated Property
logPoct/wat	2.087		Crippen Calculated Property
McVol	210.100	ml/mol	McGowan Calculated Property
Pc	1968.30	kPa	Joback Calculated Property
Inp	[1656.00; 1656.00]
Inp	1656.00		NIST
Inp	1656.00		NIST
Tboil	665.70	K	Joback Calculated Property
Tc	861.80	K	Joback Calculated Property
Tfus	403.75	K	Joback Calculated Property
Vc	0.797	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[554.42; 630.86]	J/mol×K	[665.70; 861.80]
Cp,gas	554.42	J/mol×K	665.70	Joback Calculated Property
Cp,gas	569.07	J/mol×K	698.38	Joback Calculated Property
Cp,gas	582.94	J/mol×K	731.07	Joback Calculated Property
Cp,gas	596.03	J/mol×K	763.75	Joback Calculated Property
Cp,gas	608.37	J/mol×K	796.43	Joback Calculated Property
Cp,gas	619.97	J/mol×K	829.12	Joback Calculated Property
Cp,gas	630.86	J/mol×K	861.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-ethylbutyl but-3-yn-2-yl ester.

Sources

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

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