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

InChI

InChI=1S/C16H18O4/c1-4-13(3)19-15(17)9-6-10-16(18)20-14-8-5-7-12(2)11-14/h1,5,7-8,11,13H,6,9-10H2,2-3H3

InChI Key

FKLJBYJCKPWDID-UHFFFAOYSA-N

Formula

C16H18O4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1cccc(C)c1

Molecular Weight¹

274.31

• 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°	-60.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-351.49	kJ/mol	Joback Calculated Property
ΔfusH°	35.87	kJ/mol	Joback Calculated Property
ΔvapH°	71.93	kJ/mol	Joback Calculated Property
log10WS	-3.96		Crippen Calculated Property
logPoct/wat	2.636		Crippen Calculated Property
McVol	218.820	ml/mol	McGowan Calculated Property
Pc	2085.03	kPa	Joback Calculated Property
Inp	[1970.00; 1970.00]
Inp	1970.00		NIST
Inp	1970.00		NIST
Tboil	739.40	K	Joback Calculated Property
Tc	954.59	K	Joback Calculated Property
Tfus	485.31	K	Joback Calculated Property
Vc	0.828	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.35; 670.23]	J/mol×K	[739.40; 954.59]
Cp,gas	598.35	J/mol×K	739.40	Joback Calculated Property
Cp,gas	612.76	J/mol×K	775.26	Joback Calculated Property
Cp,gas	626.17	J/mol×K	811.13	Joback Calculated Property
Cp,gas	638.60	J/mol×K	846.99	Joback Calculated Property
Cp,gas	650.08	J/mol×K	882.86	Joback Calculated Property
Cp,gas	660.61	J/mol×K	918.72	Joback Calculated Property
Cp,gas	670.23	J/mol×K	954.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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