Chemical Properties of Glutaric acid, monoamide, N-(4-chlorophenyl)-, undecyl ester

InChI

InChI=1S/C22H34ClNO3/c1-2-3-4-5-6-7-8-9-10-18-27-22(26)13-11-12-21(25)24-20-16-14-19(23)15-17-20/h14-17H,2-13,18H2,1H3,(H,24,25)

InChI Key

BOICXXMTAGMLRZ-UHFFFAOYSA-N

Formula

C22H34ClNO3

SMILES

CCCCCCCCCCCOC(=O)CCCC(=O)Nc1ccc(Cl)cc1

Molecular Weight¹

395.96

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.0960		Relay (1.0) Calculated Property
ΔfG°	-48.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-761.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.07	kJ/mol	Joback Calculated Property
ΔvapH°	120.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-6.33		Relay (1.0) Calculated Property
logPoct/wat	6.523		Crippen Calculated Property
McVol	328.310	ml/mol	McGowan Calculated Property
Pc	1165.63	kPa	Joback Calculated Property
Inp	[3354.00; 3354.00]
Inp	3354.00		NIST
Inp	3354.00		NIST
Tboil	682.49	K	Relay (1.0) Calculated Property
Tc	915.75	K	Relay (1.0) Calculated Property
Tfus	360.18	K	Relay (1.0) Calculated Property
Vc	1.209	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1054.39; 1128.73]	J/mol×K	[952.18; 1166.90]
Cp,gas	1054.39	J/mol×K	952.18	Joback Calculated Property
Cp,gas	1069.62	J/mol×K	987.97	Joback Calculated Property
Cp,gas	1083.64	J/mol×K	1023.75	Joback Calculated Property
Cp,gas	1096.50	J/mol×K	1059.54	Joback Calculated Property
Cp,gas	1108.27	J/mol×K	1095.32	Joback Calculated Property
Cp,gas	1119.00	J/mol×K	1131.11	Joback Calculated Property
Cp,gas	1128.73	J/mol×K	1166.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(4-chlorophenyl)-, undecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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