Chemical Properties of Succinic acid, 4-cyanophenyl 3,4-dimethylphenyl ester

InChI

InChI=1S/C19H17NO4/c1-13-3-6-17(11-14(13)2)24-19(22)10-9-18(21)23-16-7-4-15(12-20)5-8-16/h3-8,11H,9-10H2,1-2H3

InChI Key

YJADWINZDREEFX-UHFFFAOYSA-N

Formula

C19H17NO4

SMILES

Cc1ccc(OC(=O)CCC(=O)Oc2ccc(C#N)cc2)cc1C

Molecular Weight¹

323.34

• 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°	-29.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-321.56	kJ/mol	Joback Calculated Property
ΔfusH°	38.96	kJ/mol	Joback Calculated Property
ΔvapH°	93.22	kJ/mol	Joback Calculated Property
log10WS	-5.05		Crippen Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	247.310	ml/mol	McGowan Calculated Property
Pc	1798.51	kPa	Joback Calculated Property
Inp	[2790.00; 2790.00]
Inp	2790.00		NIST
Inp	2790.00		NIST
Tboil	957.08	K	Joback Calculated Property
Tc	1195.87	K	Joback Calculated Property
Tfus	603.60	K	Joback Calculated Property
Vc	0.958	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[734.05; 775.72]	J/mol×K	[957.08; 1195.87]
Cp,gas	734.05	J/mol×K	957.08	Joback Calculated Property
Cp,gas	744.16	J/mol×K	996.88	Joback Calculated Property
Cp,gas	752.98	J/mol×K	1036.68	Joback Calculated Property
Cp,gas	760.53	J/mol×K	1076.48	Joback Calculated Property
Cp,gas	766.81	J/mol×K	1116.27	Joback Calculated Property
Cp,gas	771.87	J/mol×K	1156.07	Joback Calculated Property
Cp,gas	775.72	J/mol×K	1195.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-cyanophenyl 3,4-dimethylphenyl ester.

Sources

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

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