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

InChI

InChI=1S/C15H24O4/c1-6-12(5)18-14(16)9-8-10-15(17)19-13(7-2)11(3)4/h1,11-13H,7-10H2,2-5H3

InChI Key

VSZWYAFERJODPA-UHFFFAOYSA-N

Formula

C15H24O4

SMILES

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

Molecular Weight¹

268.35

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6555		Relay (1.0) Calculated Property
ΔfG°	-176.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-740.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.59	kJ/mol	Joback Calculated Property
ΔvapH°	76.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-2.88		Relay (1.0) Calculated Property
logPoct/wat	2.699		Crippen Calculated Property
McVol	228.490	ml/mol	McGowan Calculated Property
Pc	1744.82	kPa	Joback Calculated Property
Inp	[1644.00; 1644.00]
Inp	1644.00		NIST
Inp	1644.00		NIST
Tboil	547.99	K	Relay (1.0) Calculated Property
Tc	716.73	K	Relay (1.0) Calculated Property
Tfus	282.75	K	Relay (1.0) Calculated Property
Vc	0.809	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[630.39; 713.34]	J/mol×K	[683.98; 874.84]
Cp,gas	630.39	J/mol×K	683.98	Joback Calculated Property
Cp,gas	646.29	J/mol×K	715.79	Joback Calculated Property
Cp,gas	661.34	J/mol×K	747.60	Joback Calculated Property
Cp,gas	675.56	J/mol×K	779.41	Joback Calculated Property
Cp,gas	688.96	J/mol×K	811.22	Joback Calculated Property
Cp,gas	701.55	J/mol×K	843.03	Joback Calculated Property
Cp,gas	713.34	J/mol×K	874.84	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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