Chemical Properties of 4-N,N-Dimethylaminoacetophenone (CAS 2124-31-4)

InChI

InChI=1S/C10H13NO/c1-8(12)9-4-6-10(7-5-9)11(2)3/h4-7H,1-3H3

InChI Key

HUDYANRNMZDQGA-UHFFFAOYSA-N

Formula

C10H13NO

SMILES

CC(=O)c1ccc(N(C)C)cc1

Molecular Weight¹

163.22

CAS

2124-31-4

Other Names

• p-Dimethylaminoacetophenone
• p-N,N-Dimethylaminoacetophenone
• Acetophenone, 4'-(dimethylamino)-
• Ethanone, 1-(4-(dimethylamino)phenyl)-
• 4-Dimethylaminoacetophenone
• 4'-(Dimethylamino)acetophenone

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_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	0.5294		Relay (1.0) Calculated Property
PAff	932.80	kJ/mol	NIST
BasG	906.30	kJ/mol	NIST
ΔfG°	117.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-98.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.93	kJ/mol	Joback Calculated Property
ΔvapH°	76.27	kJ/mol	Relay (1.0) Calculated Property
IE	[7.55; 7.69]	eV
IE	7.69	eV	NIST
IE	7.55	eV	NIST
IE	7.57 ± 0.05	eV	NIST
log10WS	-2.25		Relay (1.0) Calculated Property
logPoct/wat	1.955		Crippen Calculated Property
McVol	139.550	ml/mol	McGowan Calculated Property
Pc	3082.99	kPa	Joback Calculated Property
Tboil	545.74	K	Relay (1.0) Calculated Property
Tc	762.49	K	Relay (1.0) Calculated Property
Tfus	360.41	K	Relay (1.0) Calculated Property
Vc	0.522	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.35; 440.72]	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			-2.91400e+01
Coefficient B			9.11360e-01
Coefficient C			-5.78260e-04
Coefficient D			1.36760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.35	J/mol×K	273.00	Calculated Property
Cp,gas	226.96	J/mol×K	353.78	Calculated Property
Cp,gas	268.92	J/mol×K	434.56	Calculated Property
Cp,gas	305.66	J/mol×K	515.33	Calculated Property
Cp,gas	337.62	J/mol×K	596.11	Calculated Property
Cp,gas	365.22	J/mol×K	676.89	Calculated Property
Cp,gas	388.89	J/mol×K	757.67	Calculated Property
Cp,gas	409.08	J/mol×K	838.44	Calculated Property
Cp,gas	426.21	J/mol×K	919.22	Calculated Property
Cp,gas	440.72	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-N,N-Dimethylaminoacetophenone.

Sources

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

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