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

InChI

InChI=1S/C21H20O4/c1-3-16(2)24-20(22)10-7-11-21(23)25-19-14-12-18(13-15-19)17-8-5-4-6-9-17/h1,4-6,8-9,12-16H,7,10-11H2,2H3

InChI Key

ZDYXZHVMCNVKPU-UHFFFAOYSA-N

Formula

C21H20O4

SMILES

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

Molecular Weight¹

336.38

• 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°	93.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-218.16	kJ/mol	Joback Calculated Property
ΔfusH°	42.87	kJ/mol	Joback Calculated Property
ΔvapH°	85.34	kJ/mol	Joback Calculated Property
log10WS	-6.09		Crippen Calculated Property
logPoct/wat	3.994		Crippen Calculated Property
McVol	265.510	ml/mol	McGowan Calculated Property
Pc	1827.85	kPa	Joback Calculated Property
Inp	[2662.00; 2662.00]
Inp	2662.00		NIST
Inp	2662.00		NIST
Tboil	880.48	K	Joback Calculated Property
Tc	1114.80	K	Joback Calculated Property
Tfus	568.08	K	Joback Calculated Property
Vc	1.000	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.60; 846.51]	J/mol×K	[880.48; 1114.80]
Cp,gas	782.60	J/mol×K	880.48	Joback Calculated Property
Cp,gas	796.32	J/mol×K	919.53	Joback Calculated Property
Cp,gas	808.73	J/mol×K	958.59	Joback Calculated Property
Cp,gas	819.91	J/mol×K	997.64	Joback Calculated Property
Cp,gas	829.89	J/mol×K	1036.69	Joback Calculated Property
Cp,gas	838.74	J/mol×K	1075.74	Joback Calculated Property
Cp,gas	846.51	J/mol×K	1114.80	Joback Calculated Property

Similar Compounds

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

Sources

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

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