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

InChI

InChI=1S/C19H32O4/c1-5-7-8-9-10-11-13-17(4)23-19(21)15-12-14-18(20)22-16(3)6-2/h2,16-17H,5,7-15H2,1,3-4H3

InChI Key

FOZBKTGOOZTXKM-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

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

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°	-140.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-643.75	kJ/mol	Joback Calculated Property
ΔfusH°	46.47	kJ/mol	Joback Calculated Property
ΔvapH°	75.28	kJ/mol	Joback Calculated Property
log10WS	-5.52		Crippen Calculated Property
logPoct/wat	4.404		Crippen Calculated Property
McVol	284.850	ml/mol	McGowan Calculated Property
Pc	1288.36	kPa	Joback Calculated Property
Inp	[2039.00; 2039.00]
Inp	2039.00		NIST
Inp	2039.00		NIST
Tboil	775.94	K	Joback Calculated Property
Tc	962.74	K	Joback Calculated Property
Tfus	465.18	K	Joback Calculated Property
Vc	1.097	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[855.75; 944.23]	J/mol×K	[775.94; 962.74]
Cp,gas	855.75	J/mol×K	775.94	Joback Calculated Property
Cp,gas	872.85	J/mol×K	807.07	Joback Calculated Property
Cp,gas	888.99	J/mol×K	838.21	Joback Calculated Property
Cp,gas	904.18	J/mol×K	869.34	Joback Calculated Property
Cp,gas	918.43	J/mol×K	900.47	Joback Calculated Property
Cp,gas	931.78	J/mol×K	931.61	Joback Calculated Property
Cp,gas	944.23	J/mol×K	962.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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