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

InChI

InChI=1S/C22H36O4/c1-4-6-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-18-22(24)26-20(3)5-2/h5,20H,2,4,6-13,16-19H2,1,3H3

InChI Key

XEBGSGRRGLVUEH-UHFFFAOYSA-N

Formula

C22H36O4

SMILES

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

Molecular Weight¹

364.52

• 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°	-45.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-594.56	kJ/mol	Joback Calculated Property
ΔfusH°	56.63	kJ/mol	Joback Calculated Property
ΔvapH°	83.97	kJ/mol	Joback Calculated Property
log10WS	-6.52		Crippen Calculated Property
logPoct/wat	5.352		Crippen Calculated Property
McVol	322.820	ml/mol	McGowan Calculated Property
Pc	1090.66	kPa	Joback Calculated Property
Inp	[2491.00; 2491.00]
Inp	2491.00		NIST
Inp	2491.00		NIST
Tboil	860.58	K	Joback Calculated Property
Tc	1057.42	K	Joback Calculated Property
Tfus	571.36	K	Joback Calculated Property
Vc	1.252	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1013.41; 1102.15]	J/mol×K	[860.58; 1057.42]
Cp,gas	1013.41	J/mol×K	860.58	Joback Calculated Property
Cp,gas	1030.96	J/mol×K	893.39	Joback Calculated Property
Cp,gas	1047.38	J/mol×K	926.19	Joback Calculated Property
Cp,gas	1062.68	J/mol×K	959.00	Joback Calculated Property
Cp,gas	1076.89	J/mol×K	991.81	Joback Calculated Property
Cp,gas	1090.04	J/mol×K	1024.62	Joback Calculated Property
Cp,gas	1102.15	J/mol×K	1057.42	Joback Calculated Property

Similar Compounds

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

Sources

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

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