Chemical Properties of Glutaric acid, but-3-yn-2-yl 3-methyl-5-methoxypentyl ester

InChI

InChI=1S/C16H26O5/c1-5-14(3)21-16(18)8-6-7-15(17)20-12-10-13(2)9-11-19-4/h1,13-14H,6-12H2,2-4H3

InChI Key

AZRHCVDZTDIOEG-UHFFFAOYSA-N

Formula

C16H26O5

SMILES

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

Molecular Weight¹

298.37

• 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	0.7610		Relay (1.0) Calculated Property
ΔfG°	-270.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-862.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.89	kJ/mol	Joback Calculated Property
ΔvapH°	83.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.39	eV	Relay (1.0) Calculated Property
log10WS	-2.42		Relay (1.0) Calculated Property
logPoct/wat	2.328		Crippen Calculated Property
McVol	248.450	ml/mol	McGowan Calculated Property
Pc	1580.97	kPa	Joback Calculated Property
Inp	[1912.00; 1912.00]
Inp	1912.00		NIST
Inp	1912.00		NIST
Tboil	584.69	K	Relay (1.0) Calculated Property
Tc	748.48	K	Relay (1.0) Calculated Property
Tfus	277.92	K	Relay (1.0) Calculated Property
Vc	0.884	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[713.51; 795.22]	J/mol×K	[729.72; 916.65]
Cp,gas	713.51	J/mol×K	729.72	Joback Calculated Property
Cp,gas	729.29	J/mol×K	760.88	Joback Calculated Property
Cp,gas	744.20	J/mol×K	792.03	Joback Calculated Property
Cp,gas	758.24	J/mol×K	823.19	Joback Calculated Property
Cp,gas	771.43	J/mol×K	854.34	Joback Calculated Property
Cp,gas	783.75	J/mol×K	885.50	Joback Calculated Property
Cp,gas	795.22	J/mol×K	916.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 3-methyl-5-methoxypentyl ester.

Sources

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

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