Chemical Properties of acetamide, N-butyl-N-phenyl-

InChI

InChI=1S/C12H17NO/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3

InChI Key

ZWDZJRRQSXLOQR-UHFFFAOYSA-N

Formula

C12H17NO

SMILES

CCCCN(C(C)=O)c1ccccc1

Molecular Weight¹

191.27

Other Names

• Acetanilide, n-butyl-
• N-butylacetanilide

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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
ΔfusH°	25.50	kJ/mol	Joback Calculated Property
ΔvapH°	71.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-2.49		Relay (1.0) Calculated Property
logPoct/wat	2.840		Crippen Calculated Property
McVol	167.730	ml/mol	McGowan Calculated Property
Tboil	554.20	K	NIST
Tfus	[297.60; 297.65]	K
Tfus	297.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	297.60 ± 0.02	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.22; 546.94]	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			-4.52570e+01
Coefficient B			1.16084e+00
Coefficient C			-7.54100e-04
Coefficient D			1.85460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.22	J/mol×K	273.00	Calculated Property
Cp,gas	279.25	J/mol×K	353.78	Calculated Property
Cp,gas	332.01	J/mol×K	434.56	Calculated Property
Cp,gas	378.08	J/mol×K	515.33	Calculated Property
Cp,gas	418.05	J/mol×K	596.11	Calculated Property
Cp,gas	452.51	J/mol×K	676.89	Calculated Property
Cp,gas	482.04	J/mol×K	757.67	Calculated Property
Cp,gas	507.23	J/mol×K	838.44	Calculated Property
Cp,gas	528.67	J/mol×K	919.22	Calculated Property
Cp,gas	546.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to acetamide, N-butyl-N-phenyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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