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

InChI

InChI=1S/C21H29NO4/c1-3-4-5-6-7-8-9-17(2)25-20(23)14-15-21(24)26-19-12-10-18(16-22)11-13-19/h10-13,17H,3-9,14-15H2,1-2H3

InChI Key

CWGVRGAILWBSMO-UHFFFAOYSA-N

Formula

C21H29NO4

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)Oc1ccc(C#N)cc1

Molecular Weight¹

359.46

• 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°	-108.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-581.71	kJ/mol	Joback Calculated Property
ΔfusH°	47.35	kJ/mol	Joback Calculated Property
ΔvapH°	93.68	kJ/mol	Joback Calculated Property
log10WS	-6.14		Crippen Calculated Property
logPoct/wat	4.926		Crippen Calculated Property
McVol	299.250	ml/mol	McGowan Calculated Property
Pc	1237.22	kPa	Joback Calculated Property
Inp	[2735.00; 2735.00]
Inp	2735.00		NIST
Inp	2735.00		NIST
Tboil	965.76	K	Joback Calculated Property
Tc	1185.59	K	Joback Calculated Property
Tfus	559.68	K	Joback Calculated Property
Vc	1.171	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[960.95; 1020.82]	J/mol×K	[965.76; 1185.59]
Cp,gas	960.95	J/mol×K	965.76	Joback Calculated Property
Cp,gas	974.05	J/mol×K	1002.40	Joback Calculated Property
Cp,gas	985.86	J/mol×K	1039.04	Joback Calculated Property
Cp,gas	996.41	J/mol×K	1075.68	Joback Calculated Property
Cp,gas	1005.73	J/mol×K	1112.32	Joback Calculated Property
Cp,gas	1013.86	J/mol×K	1148.96	Joback Calculated Property
Cp,gas	1020.82	J/mol×K	1185.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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