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

InChI

InChI=1S/C15H17NO5/c1-2-19-9-10-20-14(17)7-8-15(18)21-13-5-3-12(11-16)4-6-13/h3-6H,2,7-10H2,1H3

InChI Key

APTBPGSZWINMRD-UHFFFAOYSA-N

Formula

C15H17NO5

SMILES

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

Molecular Weight¹

291.30

• 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°	-261.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-584.81	kJ/mol	Joback Calculated Property
ΔfusH°	36.53	kJ/mol	Joback Calculated Property
ΔvapH°	83.12	kJ/mol	Joback Calculated Property
log10WS	-2.60		Crippen Calculated Property
logPoct/wat	1.824		Crippen Calculated Property
McVol	220.580	ml/mol	McGowan Calculated Property
Pc	1903.58	kPa	Joback Calculated Property
Inp	[2314.00; 2314.00]
Inp	2314.00		NIST
Inp	2314.00		NIST
Tboil	851.34	K	Joback Calculated Property
Tc	1066.61	K	Joback Calculated Property
Tfus	529.29	K	Joback Calculated Property
Vc	0.860	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[641.70; 693.58]	J/mol×K	[851.34; 1066.61]
Cp,gas	641.70	J/mol×K	851.34	Joback Calculated Property
Cp,gas	653.01	J/mol×K	887.22	Joback Calculated Property
Cp,gas	663.26	J/mol×K	923.10	Joback Calculated Property
Cp,gas	672.45	J/mol×K	958.97	Joback Calculated Property
Cp,gas	680.57	J/mol×K	994.85	Joback Calculated Property
Cp,gas	687.61	J/mol×K	1030.73	Joback Calculated Property
Cp,gas	693.58	J/mol×K	1066.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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