Chemical Properties of Glutaric acid, hexyl 2-methyloct-5-yn-4-yl ester

InChI

InChI=1S/C20H34O4/c1-5-7-9-10-15-23-19(21)13-11-14-20(22)24-18(12-8-6-2)16-17(3)4/h17-18H,5-7,9-11,13-16H2,1-4H3

InChI Key

JWIORUWBFFYUTH-UHFFFAOYSA-N

Formula

C20H34O4

SMILES

CCC#CC(CC(C)C)OC(=O)CCCC(=O)OCCCCCC

Molecular Weight¹

338.48

• 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°	-152.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-683.99	kJ/mol	Joback Calculated Property
ΔfusH°	49.21	kJ/mol	Joback Calculated Property
ΔvapH°	79.80	kJ/mol	Joback Calculated Property
log10WS	-5.58		Crippen Calculated Property
logPoct/wat	4.652		Crippen Calculated Property
McVol	298.940	ml/mol	McGowan Calculated Property
Pc	1214.05	kPa	Joback Calculated Property
Inp	[3425.00; 3425.00]
Inp	3425.00		NIST
Inp	3425.00		NIST
Tboil	817.70	K	Joback Calculated Property
Tc	1011.28	K	Joback Calculated Property
Tfus	535.58	K	Joback Calculated Property
Vc	1.153	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[920.80; 1010.33]	J/mol×K	[817.70; 1011.28]
Cp,gas	920.80	J/mol×K	817.70	Joback Calculated Property
Cp,gas	938.39	J/mol×K	849.96	Joback Calculated Property
Cp,gas	954.89	J/mol×K	882.23	Joback Calculated Property
Cp,gas	970.32	J/mol×K	914.49	Joback Calculated Property
Cp,gas	984.69	J/mol×K	946.75	Joback Calculated Property
Cp,gas	998.02	J/mol×K	979.02	Joback Calculated Property
Cp,gas	1010.33	J/mol×K	1011.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexyl 2-methyloct-5-yn-4-yl ester.

Sources

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

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