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

InChI

InChI=1S/C16H26O4/c1-5-7-8-10-14(4)20-16(18)12-9-11-15(17)19-13(3)6-2/h2,13-14H,5,7-12H2,1,3-4H3

InChI Key

MRTOHIRKTMSOLV-UHFFFAOYSA-N

Formula

C16H26O4

SMILES

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

Molecular Weight¹

282.38

• 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°	-165.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-581.83	kJ/mol	Joback Calculated Property
ΔfusH°	38.70	kJ/mol	Joback Calculated Property
ΔvapH°	68.60	kJ/mol	Joback Calculated Property
log10WS	-4.26		Crippen Calculated Property
logPoct/wat	3.234		Crippen Calculated Property
McVol	242.580	ml/mol	McGowan Calculated Property
Pc	1602.56	kPa	Joback Calculated Property
Inp	[1748.00; 1748.00]
Inp	1748.00		NIST
Inp	1748.00		NIST
Tboil	707.30	K	Joback Calculated Property
Tc	894.24	K	Joback Calculated Property
Tfus	431.37	K	Joback Calculated Property
Vc	0.929	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[684.68; 768.50]	J/mol×K	[707.30; 894.24]
Cp,gas	684.68	J/mol×K	707.30	Joback Calculated Property
Cp,gas	700.73	J/mol×K	738.46	Joback Calculated Property
Cp,gas	715.93	J/mol×K	769.61	Joback Calculated Property
Cp,gas	730.29	J/mol×K	800.77	Joback Calculated Property
Cp,gas	743.83	J/mol×K	831.93	Joback Calculated Property
Cp,gas	756.57	J/mol×K	863.08	Joback Calculated Property
Cp,gas	768.50	J/mol×K	894.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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