Chemical Properties of Glutaric acid, but-3-yn-2-yl 3,7-dimethyloctyl ester

InChI

InChI=1S/C19H32O4/c1-6-17(5)23-19(21)12-8-11-18(20)22-14-13-16(4)10-7-9-15(2)3/h1,15-17H,7-14H2,2-5H3

InChI Key

HGRGOSXRMFYELP-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

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

Molecular Weight¹

324.45

• 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°	-142.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-649.03	kJ/mol	Joback Calculated Property
ΔfusH°	42.95	kJ/mol	Joback Calculated Property
ΔvapH°	74.89	kJ/mol	Joback Calculated Property
log10WS	-4.92		Crippen Calculated Property
logPoct/wat	4.117		Crippen Calculated Property
McVol	284.850	ml/mol	McGowan Calculated Property
Pc	1295.79	kPa	Joback Calculated Property
Inp	[2066.00; 2066.00]
Inp	2066.00		NIST
Inp	2066.00		NIST
Tboil	775.50	K	Joback Calculated Property
Tc	964.08	K	Joback Calculated Property
Tfus	450.18	K	Joback Calculated Property
Vc	1.091	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[856.25; 945.35]	J/mol×K	[775.50; 964.08]
Cp,gas	856.25	J/mol×K	775.50	Joback Calculated Property
Cp,gas	873.52	J/mol×K	806.93	Joback Calculated Property
Cp,gas	889.80	J/mol×K	838.36	Joback Calculated Property
Cp,gas	905.11	J/mol×K	869.79	Joback Calculated Property
Cp,gas	919.45	J/mol×K	901.22	Joback Calculated Property
Cp,gas	932.86	J/mol×K	932.65	Joback Calculated Property
Cp,gas	945.35	J/mol×K	964.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 3,7-dimethyloctyl ester.

Sources

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

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