Chemical Properties of Glutaric acid, (cyclohex-3-enyl)methyl but-3-yn-2-yl ester

InChI

InChI=1S/C16H22O4/c1-3-13(2)20-16(18)11-7-10-15(17)19-12-14-8-5-4-6-9-14/h1,4-5,13-14H,6-12H2,2H3

InChI Key

QOVYIWVTBVQXSH-UHFFFAOYSA-N

Formula

C16H22O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OCC1CC=CCC1

Molecular Weight¹

278.34

• 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°	-108.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-464.45	kJ/mol	Joback Calculated Property
ΔfusH°	35.28	kJ/mol	Joback Calculated Property
ΔvapH°	69.71	kJ/mol	Joback Calculated Property
log10WS	-3.66		Crippen Calculated Property
logPoct/wat	2.621		Crippen Calculated Property
McVol	227.420	ml/mol	McGowan Calculated Property
Pc	1949.23	kPa	Joback Calculated Property
Inp	[1962.00; 1962.00]
Inp	1962.00		NIST
Inp	1962.00		NIST
Tboil	726.45	K	Joback Calculated Property
Tc	936.88	K	Joback Calculated Property
Tfus	454.51	K	Joback Calculated Property
Vc	0.855	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[653.34; 738.41]	J/mol×K	[726.45; 936.88]
Cp,gas	653.34	J/mol×K	726.45	Joback Calculated Property
Cp,gas	670.31	J/mol×K	761.52	Joback Calculated Property
Cp,gas	686.13	J/mol×K	796.59	Joback Calculated Property
Cp,gas	700.83	J/mol×K	831.66	Joback Calculated Property
Cp,gas	714.43	J/mol×K	866.74	Joback Calculated Property
Cp,gas	726.95	J/mol×K	901.81	Joback Calculated Property
Cp,gas	738.41	J/mol×K	936.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (cyclohex-3-enyl)methyl but-3-yn-2-yl ester.

Sources

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

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