Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C26H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-29-24(27)18-17-19-25(28)30-22-23(2)21-26(3,4)5/h23H,6-14,17-22H2,1-5H3

InChI Key

JHYLAFDVGIIDIY-UHFFFAOYSA-N

Formula

C26H46O4

SMILES

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

Molecular Weight¹

422.64

• 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°	-96.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-811.30	kJ/mol	Joback Calculated Property
ΔfusH°	60.85	kJ/mol	Joback Calculated Property
ΔvapH°	92.25	kJ/mol	Joback Calculated Property
log10WS	-7.74		Crippen Calculated Property
logPoct/wat	6.850		Crippen Calculated Property
McVol	383.480	ml/mol	McGowan Calculated Property
Pc	847.51	kPa	Joback Calculated Property
Inp	[2835.00; 2835.00]
Inp	2835.00		NIST
Inp	2835.00		NIST
Tboil	952.19	K	Joback Calculated Property
Tc	1165.84	K	Joback Calculated Property
Tfus	620.62	K	Joback Calculated Property
Vc	1.484	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1291.04; 1386.70]	J/mol×K	[952.19; 1165.84]
Cp,gas	1291.04	J/mol×K	952.19	Joback Calculated Property
Cp,gas	1310.33	J/mol×K	987.80	Joback Calculated Property
Cp,gas	1328.21	J/mol×K	1023.41	Joback Calculated Property
Cp,gas	1344.72	J/mol×K	1059.02	Joback Calculated Property
Cp,gas	1359.93	J/mol×K	1094.63	Joback Calculated Property
Cp,gas	1373.91	J/mol×K	1130.23	Joback Calculated Property
Cp,gas	1386.70	J/mol×K	1165.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2,4,4-trimethylpentyl ester.

Sources

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

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