Chemical Properties of Succinic acid, tridec-2-yn-1-yl but-3-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/h4H,2-3,5-13,16-19H2,1H3

InChI Key

USUISHYOGIAJQX-UHFFFAOYSA-N

Formula

C21H34O4

SMILES

C=CCCOC(=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°	-51.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-568.64	kJ/mol	Joback Calculated Property
ΔfusH°	57.56	kJ/mol	Joback Calculated Property
ΔvapH°	82.13	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	1156.93	kPa	Joback Calculated Property
Inp	[2506.00; 2506.00]
Inp	2506.00		NIST
Inp	2506.00		NIST
Tboil	838.14	K	Joback Calculated Property
Tc	1031.62	K	Joback Calculated Property
Tfus	575.09	K	Joback Calculated Property
Vc	1.202	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[952.49; 1039.98]	J/mol×K	[838.14; 1031.62]
Cp,gas	952.49	J/mol×K	838.14	Joback Calculated Property
Cp,gas	969.65	J/mol×K	870.39	Joback Calculated Property
Cp,gas	985.74	J/mol×K	902.63	Joback Calculated Property
Cp,gas	1000.81	J/mol×K	934.88	Joback Calculated Property
Cp,gas	1014.85	J/mol×K	967.13	Joback Calculated Property
Cp,gas	1027.90	J/mol×K	999.37	Joback Calculated Property
Cp,gas	1039.98	J/mol×K	1031.62	Joback Calculated Property

Similar Compounds

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

Sources

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

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