Chemical Properties of Succinic acid, 2-ethylhexyl 4-cyanophenyl ester

InChI

InChI=1S/C19H25NO4/c1-3-5-6-15(4-2)14-23-18(21)11-12-19(22)24-17-9-7-16(13-20)8-10-17/h7-10,15H,3-6,11-12,14H2,1-2H3

InChI Key

AUIJTCAVYJZDOM-UHFFFAOYSA-N

Formula

C19H25NO4

SMILES

CCCCC(CC)COC(=O)CCC(=O)Oc1ccc(C#N)cc1

Molecular Weight¹

331.41

• 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°	-125.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.43	kJ/mol	Joback Calculated Property
ΔfusH°	42.17	kJ/mol	Joback Calculated Property
ΔvapH°	89.23	kJ/mol	Joback Calculated Property
log10WS	-4.94		Crippen Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	271.070	ml/mol	McGowan Calculated Property
Pc	1422.92	kPa	Joback Calculated Property
Inp	[2553.00; 2553.00]
Inp	2553.00		NIST
Inp	2553.00		NIST
Tboil	920.00	K	Joback Calculated Property
Tc	1136.39	K	Joback Calculated Property
Tfus	537.14	K	Joback Calculated Property
Vc	1.060	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[843.30; 902.68]	J/mol×K	[920.00; 1136.39]
Cp,gas	843.30	J/mol×K	920.00	Joback Calculated Property
Cp,gas	856.08	J/mol×K	956.06	Joback Calculated Property
Cp,gas	867.67	J/mol×K	992.13	Joback Calculated Property
Cp,gas	878.11	J/mol×K	1028.19	Joback Calculated Property
Cp,gas	887.40	J/mol×K	1064.26	Joback Calculated Property
Cp,gas	895.59	J/mol×K	1100.32	Joback Calculated Property
Cp,gas	902.68	J/mol×K	1136.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-ethylhexyl 4-cyanophenyl ester.

Sources

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

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