Chemical Properties of Succinic acid, di(4-cyanophenyl) ester

InChI

InChI=1S/C18H12N2O4/c19-11-13-1-5-15(6-2-13)23-17(21)9-10-18(22)24-16-7-3-14(12-20)4-8-16/h1-8H,9-10H2

InChI Key

ZSXZIPXJWLPCKL-UHFFFAOYSA-N

Formula

C18H12N2O4

SMILES

N#Cc1ccc(OC(=O)CCC(=O)Oc2ccc(C#N)cc2)cc1

Molecular Weight¹

320.30

• 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°	104.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-124.57	kJ/mol	Joback Calculated Property
ΔfusH°	38.27	kJ/mol	Joback Calculated Property
ΔvapH°	100.81	kJ/mol	Joback Calculated Property
log10WS	-4.45		Crippen Calculated Property
logPoct/wat	2.721		Crippen Calculated Property
McVol	234.600	ml/mol	McGowan Calculated Property
Pc	1937.24	kPa	Joback Calculated Property
Inp	[3292.00; 3292.00]
Inp	3292.00		NIST
Inp	3292.00		NIST
Tboil	1031.30	K	Joback Calculated Property
Tc	1282.69	K	Joback Calculated Property
Tfus	644.80	K	Joback Calculated Property
Vc	0.927	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[678.46; 698.75]	J/mol×K	[1031.30; 1282.69]
Cp,gas	678.46	J/mol×K	1031.30	Joback Calculated Property
Cp,gas	684.88	J/mol×K	1073.20	Joback Calculated Property
Cp,gas	690.04	J/mol×K	1115.10	Joback Calculated Property
Cp,gas	693.98	J/mol×K	1156.99	Joback Calculated Property
Cp,gas	696.73	J/mol×K	1198.89	Joback Calculated Property
Cp,gas	698.31	J/mol×K	1240.79	Joback Calculated Property
Cp,gas	698.75	J/mol×K	1282.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(4-cyanophenyl) ester.

Sources

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

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