Chemical Properties of Succinic acid, but-3-yn-2-yl 4-biphenyl ester

InChI

InChI=1S/C20H18O4/c1-3-15(2)23-19(21)13-14-20(22)24-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h1,4-12,15H,13-14H2,2H3

InChI Key

QPEGSWSGEASGCR-UHFFFAOYSA-N

Formula

C20H18O4

SMILES

C#CC(C)OC(=O)CCC(=O)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

322.35

• 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°	85.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-197.52	kJ/mol	Joback Calculated Property
ΔfusH°	40.27	kJ/mol	Joback Calculated Property
ΔvapH°	83.11	kJ/mol	Joback Calculated Property
log10WS	-5.67		Crippen Calculated Property
logPoct/wat	3.604		Crippen Calculated Property
McVol	251.420	ml/mol	McGowan Calculated Property
Pc	1987.66	kPa	Joback Calculated Property
Inp	[2640.00; 2640.00]
Inp	2640.00		NIST
Inp	2640.00		NIST
Tboil	857.60	K	Joback Calculated Property
Tc	1094.93	K	Joback Calculated Property
Tfus	556.81	K	Joback Calculated Property
Vc	0.944	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[725.88; 789.18]	J/mol×K	[857.60; 1094.93]
Cp,gas	725.88	J/mol×K	857.60	Joback Calculated Property
Cp,gas	739.49	J/mol×K	897.16	Joback Calculated Property
Cp,gas	751.81	J/mol×K	936.71	Joback Calculated Property
Cp,gas	762.88	J/mol×K	976.27	Joback Calculated Property
Cp,gas	772.77	J/mol×K	1015.82	Joback Calculated Property
Cp,gas	781.51	J/mol×K	1055.38	Joback Calculated Property
Cp,gas	789.18	J/mol×K	1094.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, but-3-yn-2-yl 4-biphenyl ester.

Sources

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

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