Chemical Properties of Propanamide, N-(2,5-dimethoxyphenyl)-3-phenyl-

InChI

InChI=1S/C17H19NO3/c1-20-14-9-10-16(21-2)15(12-14)18-17(19)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,18,19)

InChI Key

LFAIOQIJRNRAIK-UHFFFAOYSA-N

Formula

C17H19NO3

SMILES

COc1ccc(OC)c(NC(=O)CCc2ccccc2)c1

Molecular Weight¹

285.34

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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	-303.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.16	kJ/mol	Joback Calculated Property
IE	7.86	eV	Relay (1.0) Calculated Property
log10WS	-3.68		Relay (1.0) Calculated Property
logPoct/wat	3.275		Crippen Calculated Property
McVol	226.160	ml/mol	McGowan Calculated Property
Inp	[2454.00; 2454.00]
Inp	2454.00		NIST
Inp	2454.00		NIST
Tboil	652.03	K	Relay (1.0) Calculated Property
Tfus	377.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[304.62; 716.15]	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			5.37200e+00
Coefficient B			1.26384e+00
Coefficient C			-6.37220e-04
Coefficient D			8.41600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	304.62	J/mol×K	273.00	Calculated Property
Cp,gas	376.46	J/mol×K	353.78	Calculated Property
Cp,gas	441.16	J/mol×K	434.56	Calculated Property
Cp,gas	498.96	J/mol×K	515.33	Calculated Property
Cp,gas	550.15	J/mol×K	596.11	Calculated Property
Cp,gas	594.99	J/mol×K	676.89	Calculated Property
Cp,gas	633.74	J/mol×K	757.67	Calculated Property
Cp,gas	666.68	J/mol×K	838.44	Calculated Property
Cp,gas	694.06	J/mol×K	919.22	Calculated Property
Cp,gas	716.15	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, N-(2,5-dimethoxyphenyl)-3-phenyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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