Chemical Properties of Succinic acid, but-3-yn-2-yl dodec-9-yn-1-yl ester

InChI

InChI=1S/C20H30O4/c1-4-6-7-8-9-10-11-12-13-14-17-23-19(21)15-16-20(22)24-18(3)5-2/h2,18H,4,8-17H2,1,3H3

InChI Key

LPIYQZYMNORFCL-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

C#CC(C)OC(=O)CCC(=O)OCCCCCCCCC#CCC

Molecular Weight¹

334.45

• 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°	73.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-386.81	kJ/mol	Joback Calculated Property
ΔfusH°	55.70	kJ/mol	Joback Calculated Property
ΔvapH°	80.05	kJ/mol	Joback Calculated Property
log10WS	-5.62		Crippen Calculated Property
logPoct/wat	4.019		Crippen Calculated Property
McVol	290.340	ml/mol	McGowan Calculated Property
Pc	1341.76	kPa	Joback Calculated Property
Inp	[2333.00; 2333.00]
Inp	2333.00		NIST
Inp	2333.00		NIST
Tboil	808.26	K	Joback Calculated Property
Tc	1004.89	K	Joback Calculated Property
Tfus	597.55	K	Joback Calculated Property
Vc	1.121	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[864.93; 949.61]	J/mol×K	[808.26; 1004.89]
Cp,gas	864.93	J/mol×K	808.26	Joback Calculated Property
Cp,gas	881.50	J/mol×K	841.03	Joback Calculated Property
Cp,gas	897.06	J/mol×K	873.80	Joback Calculated Property
Cp,gas	911.63	J/mol×K	906.57	Joback Calculated Property
Cp,gas	925.23	J/mol×K	939.34	Joback Calculated Property
Cp,gas	937.88	J/mol×K	972.12	Joback Calculated Property
Cp,gas	949.61	J/mol×K	1004.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, but-3-yn-2-yl dodec-9-yn-1-yl ester.

Sources

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

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