Chemical Properties of Glutaric acid, ethyl 3-methylbut-2-enyl ester

InChI

InChI=1S/C12H20O4/c1-4-15-11(13)6-5-7-12(14)16-9-8-10(2)3/h8H,4-7,9H2,1-3H3

InChI Key

BYLBJXDKXMMJOF-UHFFFAOYSA-N

Formula

C12H20O4

SMILES

CCOC(=O)CCCC(=O)OCC=C(C)C

Molecular Weight¹

228.28

• 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°	-346.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-673.18	kJ/mol	Joback Calculated Property
ΔfusH°	31.30	kJ/mol	Joback Calculated Property
ΔvapH°	60.66	kJ/mol	Joback Calculated Property
log10WS	-2.42		Crippen Calculated Property
logPoct/wat	2.229		Crippen Calculated Property
McVol	190.520	ml/mol	McGowan Calculated Property
Pc	2027.23	kPa	Joback Calculated Property
Inp	[1601.00; 1601.00]
Inp	1601.00		NIST
Inp	1601.00		NIST
Tboil	630.58	K	Joback Calculated Property
Tc	816.74	K	Joback Calculated Property
Tfus	350.28	K	Joback Calculated Property
Vc	0.737	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[494.77; 570.30]	J/mol×K	[630.58; 816.74]
Cp,gas	494.77	J/mol×K	630.58	Joback Calculated Property
Cp,gas	509.01	J/mol×K	661.61	Joback Calculated Property
Cp,gas	522.58	J/mol×K	692.63	Joback Calculated Property
Cp,gas	535.48	J/mol×K	723.66	Joback Calculated Property
Cp,gas	547.73	J/mol×K	754.68	Joback Calculated Property
Cp,gas	559.33	J/mol×K	785.71	Joback Calculated Property
Cp,gas	570.30	J/mol×K	816.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, ethyl 3-methylbut-2-enyl ester.

Sources

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

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