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

InChI

InChI=1S/C23H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-19-26-22(24)17-16-18-23(25)27-21(4)20(2)3/h20-21H,5-13,16-19H2,1-4H3

InChI Key

ITTRJWLKFIPLRK-UHFFFAOYSA-N

Formula

C23H40O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC(C)C(C)C

Molecular Weight¹

380.56

• 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°	-127.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-745.91	kJ/mol	Joback Calculated Property
ΔfusH°	56.98	kJ/mol	Joback Calculated Property
ΔvapH°	86.48	kJ/mol	Joback Calculated Property
log10WS	-6.84		Crippen Calculated Property
logPoct/wat	5.822		Crippen Calculated Property
McVol	341.210	ml/mol	McGowan Calculated Property
Pc	1002.71	kPa	Joback Calculated Property
Inp	[2577.00; 2577.00]
Inp	2577.00		NIST
Inp	2577.00		NIST
Tboil	886.34	K	Joback Calculated Property
Tc	1086.67	K	Joback Calculated Property
Tfus	569.39	K	Joback Calculated Property
Vc	1.321	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1103.44; 1195.24]	J/mol×K	[886.34; 1086.67]
Cp,gas	1103.44	J/mol×K	886.34	Joback Calculated Property
Cp,gas	1121.84	J/mol×K	919.73	Joback Calculated Property
Cp,gas	1138.97	J/mol×K	953.12	Joback Calculated Property
Cp,gas	1154.84	J/mol×K	986.50	Joback Calculated Property
Cp,gas	1169.50	J/mol×K	1019.89	Joback Calculated Property
Cp,gas	1182.95	J/mol×K	1053.28	Joback Calculated Property
Cp,gas	1195.24	J/mol×K	1086.67	Joback Calculated Property

Similar Compounds

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

Sources

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

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