Chemical Properties of Glutaric acid, monoamide, N-dodecyl-, propyl ester

InChI

InChI=1S/C20H39NO3/c1-3-5-6-7-8-9-10-11-12-13-17-21-19(22)15-14-16-20(23)24-18-4-2/h3-18H2,1-2H3,(H,21,22)

InChI Key

AKTYSPUWGSROMT-UHFFFAOYSA-N

Formula

C20H39NO3

SMILES

CCCCCCCCCCCCNC(=O)CCCC(=O)OCCC

Molecular Weight¹

341.54

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-912.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.62	kJ/mol	Joback Calculated Property
ΔvapH°	106.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-4.86		Relay (1.0) Calculated Property
logPoct/wat	5.147		Crippen Calculated Property
McVol	311.650	ml/mol	McGowan Calculated Property
Pc	1070.06	kPa	Joback Calculated Property
Inp	[3026.00; 3026.00]
Inp	3026.00		NIST
Inp	3026.00		NIST
Tboil	627.67	K	Relay (1.0) Calculated Property
Tc	824.28	K	Relay (1.0) Calculated Property
Tfus	316.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[463.20; 1085.17]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.62660e+01
Coefficient B			1.89724e+00
Coefficient C			-9.99500e-04
Coefficient D			1.71160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	463.20	J/mol×K	273.00	Calculated Property
Cp,gas	569.95	J/mol×K	353.78	Calculated Property
Cp,gas	666.02	J/mol×K	434.56	Calculated Property
Cp,gas	751.97	J/mol×K	515.33	Calculated Property
Cp,gas	828.32	J/mol×K	596.11	Calculated Property
Cp,gas	895.62	J/mol×K	676.89	Calculated Property
Cp,gas	954.41	J/mol×K	757.67	Calculated Property
Cp,gas	1005.24	J/mol×K	838.44	Calculated Property
Cp,gas	1048.65	J/mol×K	919.22	Calculated Property
Cp,gas	1085.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-dodecyl-, propyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.