Chemical Properties of Propanamide, N-ethyl-N-(3-methylphenyl)-3-phenyl-

InChI

InChI=1S/C18H21NO/c1-3-19(17-11-7-8-15(2)14-17)18(20)13-12-16-9-5-4-6-10-16/h4-11,14H,3,12-13H2,1-2H3

InChI Key

ZKSPJKQZFHLEIL-UHFFFAOYSA-N

Formula

C18H21NO

SMILES

CCN(C(=O)CCc1ccccc1)c1cccc(C)c1

Molecular Weight¹

267.37

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ω	0.6805		Relay (1.0) Calculated Property
ΔfusH°	34.69	kJ/mol	Joback Calculated Property
ΔvapH°	96.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
log10WS	-4.12		Relay (1.0) Calculated Property
logPoct/wat	3.981		Crippen Calculated Property
McVol	228.510	ml/mol	McGowan Calculated Property
Pc	1996.55	kPa	Joback Calculated Property
Inp	[2069.00; 2069.00]
Inp	2069.00		NIST
Inp	2069.00		NIST
Tboil	634.35	K	Relay (1.0) Calculated Property
Tc	886.66	K	Relay (1.0) Calculated Property
Tfus	324.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[291.80; 734.92]	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			-7.03170e+01
Coefficient B			1.59244e+00
Coefficient C			-1.04466e-03
Coefficient D			2.57460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.80	J/mol×K	273.00	Calculated Property
Cp,gas	373.70	J/mol×K	353.78	Calculated Property
Cp,gas	445.54	J/mol×K	434.56	Calculated Property
Cp,gas	508.13	J/mol×K	515.33	Calculated Property
Cp,gas	562.27	J/mol×K	596.11	Calculated Property
Cp,gas	608.79	J/mol×K	676.89	Calculated Property
Cp,gas	648.51	J/mol×K	757.67	Calculated Property
Cp,gas	682.22	J/mol×K	838.44	Calculated Property
Cp,gas	710.76	J/mol×K	919.22	Calculated Property
Cp,gas	734.92	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, N-ethyl-N-(3-methylphenyl)-3-phenyl-.

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.
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