Chemical Properties of Glutaric acid, 2-ethylhexyl 4-cyanophenyl ester

InChI

InChI=1S/C20H27NO4/c1-3-5-7-16(4-2)15-24-19(22)8-6-9-20(23)25-18-12-10-17(14-21)11-13-18/h10-13,16H,3-9,15H2,1-2H3

InChI Key

PNUDLLIBKNIMPR-UHFFFAOYSA-N

Formula

C20H27NO4

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1ccc(C#N)cc1

Molecular Weight¹

345.43

• 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°	-116.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-561.07	kJ/mol	Joback Calculated Property
ΔfusH°	44.76	kJ/mol	Joback Calculated Property
ΔvapH°	91.45	kJ/mol	Joback Calculated Property
log10WS	-5.36		Crippen Calculated Property
logPoct/wat	4.394		Crippen Calculated Property
McVol	285.160	ml/mol	McGowan Calculated Property
Pc	1325.20	kPa	Joback Calculated Property
Inp	[2754.00; 2754.00]
Inp	2754.00		NIST
Inp	2754.00		NIST
Tboil	942.88	K	Joback Calculated Property
Tc	1160.56	K	Joback Calculated Property
Tfus	548.41	K	Joback Calculated Property
Vc	1.115	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[901.82; 961.51]	J/mol×K	[942.88; 1160.56]
Cp,gas	901.82	J/mol×K	942.88	Joback Calculated Property
Cp,gas	914.76	J/mol×K	979.16	Joback Calculated Property
Cp,gas	926.47	J/mol×K	1015.44	Joback Calculated Property
Cp,gas	936.97	J/mol×K	1051.72	Joback Calculated Property
Cp,gas	946.30	J/mol×K	1088.00	Joback Calculated Property
Cp,gas	954.47	J/mol×K	1124.28	Joback Calculated Property
Cp,gas	961.51	J/mol×K	1160.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl 4-cyanophenyl ester.

Sources

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

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