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

InChI

InChI=1S/C14H22O4/c1-6-11(2)18-13(16)9-7-8-12(15)17-10-14(3,4)5/h1,11H,7-10H2,2-5H3

InChI Key

PLRVDVXBZFJZGV-UHFFFAOYSA-N

Formula

C14H22O4

SMILES

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

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°	-177.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-544.02	kJ/mol	Joback Calculated Property
ΔfusH°	29.63	kJ/mol	Joback Calculated Property
ΔvapH°	63.24	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	1898.60	kPa	Joback Calculated Property
Inp	[1561.00; 1561.00]
Inp	1561.00		NIST
Inp	1561.00		NIST
Tboil	658.75	K	Joback Calculated Property
Tc	853.97	K	Joback Calculated Property
Tfus	426.25	K	Joback Calculated Property
Vc	0.812	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[578.76; 658.76]	J/mol×K	[658.75; 853.97]
Cp,gas	578.76	J/mol×K	658.75	Joback Calculated Property
Cp,gas	594.16	J/mol×K	691.29	Joback Calculated Property
Cp,gas	608.70	J/mol×K	723.82	Joback Calculated Property
Cp,gas	622.41	J/mol×K	756.36	Joback Calculated Property
Cp,gas	635.30	J/mol×K	788.90	Joback Calculated Property
Cp,gas	647.41	J/mol×K	821.44	Joback Calculated Property
Cp,gas	658.76	J/mol×K	853.97	Joback Calculated Property

Similar Compounds

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

Sources

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

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