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

InChI

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

InChI Key

VYCZYXKHOLMEGE-UHFFFAOYSA-N

Formula

C16H19NO4

SMILES

CC(C)C(C)OC(=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°	-152.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-483.79	kJ/mol	Joback Calculated Property
ΔfusH°	30.88	kJ/mol	Joback Calculated Property
ΔvapH°	82.16	kJ/mol	Joback Calculated Property
log10WS	-3.80		Crippen Calculated Property
logPoct/wat	2.832		Crippen Calculated Property
McVol	228.800	ml/mol	McGowan Calculated Property
Pc	1803.09	kPa	Joback Calculated Property
Inp	[2210.00; 2210.00]
Inp	2210.00		NIST
Inp	2210.00		NIST
Tboil	850.92	K	Joback Calculated Property
Tc	1070.87	K	Joback Calculated Property
Tfus	488.33	K	Joback Calculated Property
Vc	0.885	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[672.57; 730.20]	J/mol×K	[850.92; 1070.87]
Cp,gas	672.57	J/mol×K	850.92	Joback Calculated Property
Cp,gas	684.87	J/mol×K	887.58	Joback Calculated Property
Cp,gas	696.07	J/mol×K	924.24	Joback Calculated Property
Cp,gas	706.19	J/mol×K	960.90	Joback Calculated Property
Cp,gas	715.25	J/mol×K	997.55	Joback Calculated Property
Cp,gas	723.24	J/mol×K	1034.21	Joback Calculated Property
Cp,gas	730.20	J/mol×K	1070.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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