Chemical Properties of Succinic acid, tridec-2-yn-1-yl but-2-en-1-yl ester

InChI

InChI=1S/C21H34O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-20(22)24-18-6-4-2/h4,6H,3,5,7-13,16-19H2,1-2H3/b6-4+

InChI Key

MKTYYSMDIFDHNX-GQCTYLIASA-N

Formula

C21H34O4

SMILES

CC=CCOC(=O)CCC(=O)OCC#CCCCCCCCCCC

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°	-58.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-576.85	kJ/mol	Joback Calculated Property
ΔfusH°	59.04	kJ/mol	Joback Calculated Property
ΔvapH°	82.76	kJ/mol	Joback Calculated Property
log10WS	-5.99		Crippen Calculated Property
logPoct/wat	4.963		Crippen Calculated Property
McVol	308.730	ml/mol	McGowan Calculated Property
Pc	1164.84	kPa	Joback Calculated Property
Inp	[2538.00; 2538.00]
Inp	2538.00		NIST
Inp	2538.00		NIST
Tboil	845.62	K	Joback Calculated Property
Tc	1041.38	K	Joback Calculated Property
Tfus	571.77	K	Joback Calculated Property
Vc	1.202	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[953.81; 1041.76]	J/mol×K	[845.62; 1041.38]
Cp,gas	953.81	J/mol×K	845.62	Joback Calculated Property
Cp,gas	970.97	J/mol×K	878.25	Joback Calculated Property
Cp,gas	987.10	J/mol×K	910.87	Joback Calculated Property
Cp,gas	1002.21	J/mol×K	943.50	Joback Calculated Property
Cp,gas	1016.34	J/mol×K	976.13	Joback Calculated Property
Cp,gas	1029.52	J/mol×K	1008.75	Joback Calculated Property
Cp,gas	1041.76	J/mol×K	1041.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl but-2-en-1-yl ester.

Sources

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

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