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

InChI

InChI=1S/C16H24O4/c1-5-9-14(8-4)20-16(18)11-10-15(17)19-12-13(6-2)7-3/h10-11,13-14H,6-8,12H2,1-4H3/b11-10+

InChI Key

ZUXGJJJOTWIDJG-ZHACJKMWSA-N

Formula

C16H24O4

SMILES

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

Molecular Weight¹

280.36

• 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°	-105.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-484.21	kJ/mol	Joback Calculated Property
ΔfusH°	39.05	kJ/mol	Joback Calculated Property
ΔvapH°	70.86	kJ/mol	Joback Calculated Property
log10WS	-3.76		Crippen Calculated Property
logPoct/wat	2.867		Crippen Calculated Property
McVol	238.280	ml/mol	McGowan Calculated Property
Pc	1687.95	kPa	Joback Calculated Property
Inp	[1744.00; 1744.00]
Inp	1744.00		NIST
Inp	1744.00		NIST
Tboil	730.34	K	Joback Calculated Property
Tc	930.35	K	Joback Calculated Property
Tfus	485.42	K	Joback Calculated Property
Vc	0.909	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[665.41; 747.69]	J/mol×K	[730.34; 930.35]
Cp,gas	665.41	J/mol×K	730.34	Joback Calculated Property
Cp,gas	681.34	J/mol×K	763.68	Joback Calculated Property
Cp,gas	696.36	J/mol×K	797.01	Joback Calculated Property
Cp,gas	710.49	J/mol×K	830.35	Joback Calculated Property
Cp,gas	723.74	J/mol×K	863.68	Joback Calculated Property
Cp,gas	736.14	J/mol×K	897.02	Joback Calculated Property
Cp,gas	747.69	J/mol×K	930.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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