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

InChI

InChI=1S/C15H22O4/c1-4-6-7-8-12-18-14(16)10-9-11-15(17)19-13(3)5-2/h2,7-8,13H,4,6,9-12H2,1,3H3/b8-7+

InChI Key

PTIJHXAOGWVMAU-BQYQJAHWSA-N

Formula

C15H22O4

SMILES

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

Molecular Weight¹

266.33

• 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	0.6441		Relay (... Calculated Property
ΔfG°	-91.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-655.15	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.83	kJ/mol	Joback Calculated Property
ΔvapH°	80.18	kJ/mol	Relay (... Calculated Property
IE	9.30	eV	Relay (... Calculated Property
log10WS	-3.16		Relay (... Calculated Property
logPoct/wat	2.621		Crippen Calculated Property
McVol	224.190	ml/mol	McGowan Calculated Property
Pc	1798.51	kPa	Joback Calculated Property
Inp	[1748.00; 1748.00]
Inp	1748.00		NIST
Inp	1748.00		NIST
Tboil	555.10	K	Relay (... Calculated Property
Tc	726.40	K	Relay (... Calculated Property
Tfus	271.30	K	Relay (... Calculated Property
Vc	0.791	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[606.86; 684.65]	J/mol×K	[689.02; 880.20]
Cp,gas	606.86	J/mol×K	689.02	Joback Calculated Property
Cp,gas	621.73	J/mol×K	720.88	Joback Calculated Property
Cp,gas	635.81	J/mol×K	752.75	Joback Calculated Property
Cp,gas	649.12	J/mol×K	784.61	Joback Calculated Property
Cp,gas	661.69	J/mol×K	816.47	Joback Calculated Property
Cp,gas	673.52	J/mol×K	848.33	Joback Calculated Property
Cp,gas	684.65	J/mol×K	880.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hex-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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