Chemical Properties of Isophthalic acid, 4-cyanophenyl ethyl ester

InChI

InChI=1S/C17H13NO4/c1-2-21-16(19)13-4-3-5-14(10-13)17(20)22-15-8-6-12(11-18)7-9-15/h3-10H,2H2,1H3

InChI Key

IVJZHNAPZGRRQB-UHFFFAOYSA-N

Formula

C17H13NO4

SMILES

CCOC(=O)c1cccc(C(=O)Oc2ccc(C#N)cc2)c1

Molecular Weight¹

295.29

• 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°	-36.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-268.81	kJ/mol	Joback Calculated Property
ΔfusH°	34.17	kJ/mol	Joback Calculated Property
ΔvapH°	88.10	kJ/mol	Joback Calculated Property
log10WS	-4.57		Crippen Calculated Property
logPoct/wat	2.954		Crippen Calculated Property
McVol	219.130	ml/mol	McGowan Calculated Property
Pc	2161.32	kPa	Joback Calculated Property
Inp	[2606.00; 2606.00]
Inp	2606.00		NIST
Inp	2606.00		NIST
Tboil	906.34	K	Joback Calculated Property
Tc	1149.08	K	Joback Calculated Property
Tfus	568.54	K	Joback Calculated Property
Vc	0.846	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.58; 665.42]	J/mol×K	[906.34; 1149.08]
Cp,gas	623.58	J/mol×K	906.34	Joback Calculated Property
Cp,gas	633.53	J/mol×K	946.80	Joback Calculated Property
Cp,gas	642.26	J/mol×K	987.25	Joback Calculated Property
Cp,gas	649.79	J/mol×K	1027.71	Joback Calculated Property
Cp,gas	656.15	J/mol×K	1068.17	Joback Calculated Property
Cp,gas	661.35	J/mol×K	1108.63	Joback Calculated Property
Cp,gas	665.42	J/mol×K	1149.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 4-cyanophenyl ethyl ester.

Sources

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

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