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

InChI

InChI=1S/C22H34O4/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/h2,20H,4,6-13,16-19H2,1,3H3

InChI Key

TUNRMAFEKIQDNW-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

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

Molecular Weight¹

362.50

• 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°	89.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-428.09	kJ/mol	Joback Calculated Property
ΔfusH°	60.88	kJ/mol	Joback Calculated Property
ΔvapH°	84.50	kJ/mol	Joback Calculated Property
log10WS	-6.46		Crippen Calculated Property
logPoct/wat	4.799		Crippen Calculated Property
McVol	318.520	ml/mol	McGowan Calculated Property
Pc	1171.22	kPa	Joback Calculated Property
Inp	[2487.00; 2487.00]
Inp	2487.00		NIST
Inp	2487.00		NIST
Tboil	854.02	K	Joback Calculated Property
Tc	1052.60	K	Joback Calculated Property
Tfus	620.09	K	Joback Calculated Property
Vc	1.234	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[983.70; 1070.45]	J/mol×K	[854.02; 1052.60]
Cp,gas	983.70	J/mol×K	854.02	Joback Calculated Property
Cp,gas	1000.82	J/mol×K	887.12	Joback Calculated Property
Cp,gas	1016.84	J/mol×K	920.21	Joback Calculated Property
Cp,gas	1031.79	J/mol×K	953.31	Joback Calculated Property
Cp,gas	1045.69	J/mol×K	986.41	Joback Calculated Property
Cp,gas	1058.57	J/mol×K	1019.50	Joback Calculated Property
Cp,gas	1070.45	J/mol×K	1052.60	Joback Calculated Property

Similar Compounds

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

Sources

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

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