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

InChI

InChI=1S/C14H22O4/c1-5-11(3)10-17-13(15)8-7-9-14(16)18-12(4)6-2/h2,11-12H,5,7-10H2,1,3-4H3

InChI Key

PORRBCKDNGIMGI-UHFFFAOYSA-N

Formula

C14H22O4

SMILES

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

Molecular Weight¹

254.32

• 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°	-182.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.55	kJ/mol	Joback Calculated Property
ΔfusH°	33.52	kJ/mol	Joback Calculated Property
ΔvapH°	64.15	kJ/mol	Joback Calculated Property
log10WS	-3.07		Crippen Calculated Property
logPoct/wat	2.311		Crippen Calculated Property
McVol	214.400	ml/mol	McGowan Calculated Property
Pc	1880.53	kPa	Joback Calculated Property
Inp	[1634.00; 1634.00]
Inp	1634.00		NIST
Inp	1634.00		NIST
Tboil	661.54	K	Joback Calculated Property
Tc	851.00	K	Joback Calculated Property
Tfus	408.83	K	Joback Calculated Property
Vc	0.818	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[576.39; 655.98]	J/mol×K	[661.54; 851.00]
Cp,gas	576.39	J/mol×K	661.54	Joback Calculated Property
Cp,gas	591.56	J/mol×K	693.12	Joback Calculated Property
Cp,gas	605.95	J/mol×K	724.69	Joback Calculated Property
Cp,gas	619.58	J/mol×K	756.27	Joback Calculated Property
Cp,gas	632.46	J/mol×K	787.85	Joback Calculated Property
Cp,gas	644.59	J/mol×K	819.43	Joback Calculated Property
Cp,gas	655.98	J/mol×K	851.00	Joback Calculated Property

Similar Compounds

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

Sources

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

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