Chemical Properties of Glutaric acid, monoamide, N-butyl-N-phenyl-, isobutyl ester

InChI

InChI=1S/C19H29NO3/c1-4-5-14-20(17-10-7-6-8-11-17)18(21)12-9-13-19(22)23-15-16(2)3/h6-8,10-11,16H,4-5,9,12-15H2,1-3H3

InChI Key

WLTQGFFRFDJYJJ-UHFFFAOYSA-N

Formula

C19H29NO3

SMILES

CCCCN(C(=O)CCCC(=O)OCC(C)C)c1ccccc1

Molecular Weight¹

319.44

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-622.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.89	kJ/mol	Joback Calculated Property
ΔvapH°	89.30	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.189		Crippen Calculated Property
McVol	273.800	ml/mol	McGowan Calculated Property
Pc	1483.85	kPa	Joback Calculated Property
Inp	[2296.00; 2296.00]
Inp	2296.00		NIST
Inp	2296.00		NIST
Tboil	639.76	K	Relay (1.0) Calculated Property
Tc	841.69	K	Relay (1.0) Calculated Property
Tfus	322.04	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[832.83; 917.04]	J/mol×K	[802.96; 1002.69]
Cp,gas	832.83	J/mol×K	802.96	Joback Calculated Property
Cp,gas	849.46	J/mol×K	836.25	Joback Calculated Property
Cp,gas	864.99	J/mol×K	869.54	Joback Calculated Property
Cp,gas	879.47	J/mol×K	902.83	Joback Calculated Property
Cp,gas	892.94	J/mol×K	936.11	Joback Calculated Property
Cp,gas	905.45	J/mol×K	969.40	Joback Calculated Property
Cp,gas	917.04	J/mol×K	1002.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-butyl-N-phenyl-, isobutyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.