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

InChI

InChI=1S/C17H28O4/c1-5-8-9-11-15(7-3)21-17(19)13-10-12-16(18)20-14(4)6-2/h2,14-15H,5,7-13H2,1,3-4H3

InChI Key

JCRLECCFOTZASL-UHFFFAOYSA-N

Formula

C17H28O4

SMILES

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

Molecular Weight¹

296.40

• 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°	-157.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-602.47	kJ/mol	Joback Calculated Property
ΔfusH°	41.29	kJ/mol	Joback Calculated Property
ΔvapH°	70.83	kJ/mol	Joback Calculated Property
log10WS	-4.68		Crippen Calculated Property
logPoct/wat	3.624		Crippen Calculated Property
McVol	256.670	ml/mol	McGowan Calculated Property
Pc	1486.14	kPa	Joback Calculated Property
Inp	[1815.00; 1815.00]
Inp	1815.00		NIST
Inp	1815.00		NIST
Tboil	730.18	K	Joback Calculated Property
Tc	916.54	K	Joback Calculated Property
Tfus	442.64	K	Joback Calculated Property
Vc	0.986	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[740.63; 826.18]	J/mol×K	[730.18; 916.54]
Cp,gas	740.63	J/mol×K	730.18	Joback Calculated Property
Cp,gas	757.06	J/mol×K	761.24	Joback Calculated Property
Cp,gas	772.60	J/mol×K	792.30	Joback Calculated Property
Cp,gas	787.27	J/mol×K	823.36	Joback Calculated Property
Cp,gas	801.08	J/mol×K	854.42	Joback Calculated Property
Cp,gas	814.04	J/mol×K	885.48	Joback Calculated Property
Cp,gas	826.18	J/mol×K	916.54	Joback Calculated Property

Similar Compounds

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

Sources

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

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