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

InChI

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

InChI Key

FNRIPHJBAOFELT-UHFFFAOYSA-N

Formula

C14H20O4

SMILES

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

Molecular Weight¹

252.31

• 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	0.6093		Relay (1.0) Calculated Property
ΔfG°	-108.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-623.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.93	kJ/mol	Joback Calculated Property
ΔvapH°	77.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-2.79		Relay (1.0) Calculated Property
logPoct/wat	2.231		Crippen Calculated Property
McVol	210.100	ml/mol	McGowan Calculated Property
Pc	1963.07	kPa	Joback Calculated Property
Inp	[1667.00; 1667.00]
Inp	1667.00		NIST
Inp	1667.00		NIST
Tboil	547.49	K	Relay (1.0) Calculated Property
Tc	720.19	K	Relay (1.0) Calculated Property
Tfus	304.33	K	Relay (1.0) Calculated Property
Vc	0.743	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[553.64; 629.76]	J/mol×K	[666.02; 861.60]
Cp,gas	553.64	J/mol×K	666.02	Joback Calculated Property
Cp,gas	568.20	J/mol×K	698.62	Joback Calculated Property
Cp,gas	581.98	J/mol×K	731.21	Joback Calculated Property
Cp,gas	595.01	J/mol×K	763.81	Joback Calculated Property
Cp,gas	607.30	J/mol×K	796.41	Joback Calculated Property
Cp,gas	618.88	J/mol×K	829.01	Joback Calculated Property
Cp,gas	629.76	J/mol×K	861.60	Joback Calculated Property

Similar Compounds

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

Sources

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

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