Chemical Properties of Ethanone, 2-(dimethylamino)-1-phenyl-

InChI

InChI=1S/C10H13NO/c1-11(2)8-10(12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

InChI Key

UMLWXYJZDNNBTD-UHFFFAOYSA-N

Formula

C10H13NO

SMILES

CN(C)CC(=O)c1ccccc1

Molecular Weight¹

163.22

Other Names

• Acetophenone, 2-(dimethylamino)-
• «alpha»-(Dimethylamino)acetophenone
• [(Dimethylamino)acetyl]benzene
• 2-(Dimethylamino)acetophenone

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4555		Relay (1.0) Calculated Property
ΔcH°liquid	-5676.99 ± 0.93	kJ/mol	NIST
ΔfG°	127.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-46.30 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-116.00 ± 0.98	kJ/mol	NIST
ΔfusH°	20.32	kJ/mol	Joback Calculated Property
ΔvapH°	[69.66; 69.70]	kJ/mol
ΔvapH°	69.66 ± 0.54	kJ/mol	NIST
ΔvapH°	69.70 ± 0.50	kJ/mol	NIST
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	-1.16		Relay (1.0) Calculated Property
logPoct/wat	1.431		Crippen Calculated Property
McVol	139.550	ml/mol	McGowan Calculated Property
Pc	3135.00	kPa	Joback Calculated Property
Tboil	511.94	K	Relay (1.0) Calculated Property
Tc	725.71	K	Relay (1.0) Calculated Property
Tfus	305.48	K	Relay (1.0) Calculated Property
Vc	0.518	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.80; 443.76]	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			-4.34390e+01
Coefficient B			9.70840e-01
Coefficient C			-6.45300e-04
Coefficient D			1.61660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.80	J/mol×K	273.00	Calculated Property
Cp,gas	226.42	J/mol×K	353.78	Calculated Property
Cp,gas	269.85	J/mol×K	434.56	Calculated Property
Cp,gas	307.62	J/mol×K	515.33	Calculated Property
Cp,gas	340.23	J/mol×K	596.11	Calculated Property
Cp,gas	368.19	J/mol×K	676.89	Calculated Property
Cp,gas	392.01	J/mol×K	757.67	Calculated Property
Cp,gas	412.20	J/mol×K	838.44	Calculated Property
Cp,gas	429.28	J/mol×K	919.22	Calculated Property
Cp,gas	443.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 2-(dimethylamino)-1-phenyl-.

Sources

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

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