Chemical Properties of Glutaric acid, 3-methylbut-2-yl 4-cyanophenyl ester

InChI

InChI=1S/C17H21NO4/c1-12(2)13(3)21-16(19)5-4-6-17(20)22-15-9-7-14(11-18)8-10-15/h7-10,12-13H,4-6H2,1-3H3

InChI Key

MLSLUPJBJJYKSN-UHFFFAOYSA-N

Formula

C17H21NO4

SMILES

CC(C)C(C)OC(=O)CCCC(=O)Oc1ccc(C#N)cc1

Molecular Weight¹

303.35

• 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°	-144.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-504.43	kJ/mol	Joback Calculated Property
ΔfusH°	33.47	kJ/mol	Joback Calculated Property
ΔvapH°	84.39	kJ/mol	Joback Calculated Property
log10WS	-4.22		Crippen Calculated Property
logPoct/wat	3.222		Crippen Calculated Property
McVol	242.890	ml/mol	McGowan Calculated Property
Pc	1664.61	kPa	Joback Calculated Property
Inp	[2321.00; 2321.00]
Inp	2321.00		NIST
Inp	2321.00		NIST
Tboil	873.80	K	Joback Calculated Property
Tc	1092.41	K	Joback Calculated Property
Tfus	499.60	K	Joback Calculated Property
Vc	0.942	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[728.88; 787.27]	J/mol×K	[873.80; 1092.41]
Cp,gas	728.88	J/mol×K	873.80	Joback Calculated Property
Cp,gas	741.38	J/mol×K	910.24	Joback Calculated Property
Cp,gas	752.76	J/mol×K	946.67	Joback Calculated Property
Cp,gas	763.02	J/mol×K	983.11	Joback Calculated Property
Cp,gas	772.18	J/mol×K	1019.54	Joback Calculated Property
Cp,gas	780.26	J/mol×K	1055.98	Joback Calculated Property
Cp,gas	787.27	J/mol×K	1092.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 4-cyanophenyl ester.

Sources

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

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