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

InChI

InChI=1S/C16H19NO4/c1-3-12(2)11-20-15(18)8-9-16(19)21-14-6-4-13(10-17)5-7-14/h4-7,12H,3,8-9,11H2,1-2H3

InChI Key

QZLRLNKXMXTHOG-UHFFFAOYSA-N

Formula

C16H19NO4

SMILES

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

Molecular Weight¹

289.33

• 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°	-150.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-478.51	kJ/mol	Joback Calculated Property
ΔfusH°	34.40	kJ/mol	Joback Calculated Property
ΔvapH°	82.55	kJ/mol	Joback Calculated Property
log10WS	-3.69		Crippen Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	228.800	ml/mol	McGowan Calculated Property
Pc	1790.91	kPa	Joback Calculated Property
Inp	[2271.00; 2271.00]
Inp	2271.00		NIST
Inp	2271.00		NIST
Tboil	851.36	K	Joback Calculated Property
Tc	1068.57	K	Joback Calculated Property
Tfus	503.33	K	Joback Calculated Property
Vc	0.891	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[671.99; 729.41]	J/mol×K	[851.36; 1068.57]
Cp,gas	671.99	J/mol×K	851.36	Joback Calculated Property
Cp,gas	684.16	J/mol×K	887.56	Joback Calculated Property
Cp,gas	695.27	J/mol×K	923.76	Joback Calculated Property
Cp,gas	705.34	J/mol×K	959.97	Joback Calculated Property
Cp,gas	714.38	J/mol×K	996.17	Joback Calculated Property
Cp,gas	722.40	J/mol×K	1032.37	Joback Calculated Property
Cp,gas	729.41	J/mol×K	1068.57	Joback Calculated Property

Similar Compounds

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

Sources

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

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