Chemical Properties of Glutaric acid, dodec-2-en-1-yl but-3-yn-2-yl ester

InChI

InChI=1S/C21H34O4/c1-4-6-7-8-9-10-11-12-13-14-18-24-20(22)16-15-17-21(23)25-19(3)5-2/h2,13-14,19H,4,6-12,15-18H2,1,3H3/b14-13+

InChI Key

VPYIHOYMMCFEAZ-BUHFOSPRSA-N

Formula

C21H34O4

SMILES

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

Molecular Weight¹

350.49

• 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°	-41.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-562.53	kJ/mol	Joback Calculated Property
ΔfusH°	55.37	kJ/mol	Joback Calculated Property
ΔvapH°	80.08	kJ/mol	Joback Calculated Property
log10WS	-6.10		Crippen Calculated Property
logPoct/wat	4.962		Crippen Calculated Property
McVol	308.730	ml/mol	McGowan Calculated Property
Pc	1161.66	kPa	Joback Calculated Property
Inp	[2352.00; 2352.00]
Inp	2352.00		NIST
Inp	2352.00		NIST
Tboil	826.30	K	Joback Calculated Property
Tc	1017.91	K	Joback Calculated Property
Tfus	497.64	K	Joback Calculated Property
Vc	1.196	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[948.38; 1036.96]	J/mol×K	[826.30; 1017.91]
Cp,gas	948.38	J/mol×K	826.30	Joback Calculated Property
Cp,gas	965.52	J/mol×K	858.23	Joback Calculated Property
Cp,gas	981.66	J/mol×K	890.17	Joback Calculated Property
Cp,gas	996.84	J/mol×K	922.10	Joback Calculated Property
Cp,gas	1011.09	J/mol×K	954.04	Joback Calculated Property
Cp,gas	1024.46	J/mol×K	985.97	Joback Calculated Property
Cp,gas	1036.96	J/mol×K	1017.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dodec-2-en-1-yl but-3-yn-2-yl ester.

Sources

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

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