Chemical Properties of Glutaric acid, but-3-en-2-yl 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C14H22O4/c1-5-12(4)18-14(16)8-6-7-13(15)17-10-9-11(2)3/h5,9,12H,1,6-8,10H2,2-4H3

InChI Key

PWODKIGQXUCRBJ-UHFFFAOYSA-N

Formula

C14H22O4

SMILES

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

Molecular Weight¹

254.32

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6548		Relay (1.0) Calculated Property
ΔfG°	-243.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-794.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.68	kJ/mol	Joback Calculated Property
ΔvapH°	76.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-2.64		Relay (1.0) Calculated Property
logPoct/wat	2.784		Crippen Calculated Property
McVol	214.400	ml/mol	McGowan Calculated Property
Pc	1790.91	kPa	Joback Calculated Property
Inp	[1666.00; 1666.00]
Inp	1666.00		NIST
Inp	1666.00		NIST
Tboil	551.71	K	Relay (1.0) Calculated Property
Tc	712.03	K	Relay (1.0) Calculated Property
Tfus	259.81	K	Relay (1.0) Calculated Property
Vc	0.771	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[577.06; 655.94]	J/mol×K	[672.58; 861.42]
Cp,gas	577.06	J/mol×K	672.58	Joback Calculated Property
Cp,gas	592.09	J/mol×K	704.05	Joback Calculated Property
Cp,gas	606.35	J/mol×K	735.53	Joback Calculated Property
Cp,gas	619.84	J/mol×K	767.00	Joback Calculated Property
Cp,gas	632.59	J/mol×K	798.47	Joback Calculated Property
Cp,gas	644.62	J/mol×K	829.95	Joback Calculated Property
Cp,gas	655.94	J/mol×K	861.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-en-2-yl 3-methylbut-2-en-1-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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