Chemical Properties of 2-Propanone, 1-(dimethylamino)-

InChI

InChI=1S/C5H11NO/c1-5(7)4-6(2)3/h4H2,1-3H3

InChI Key

VFPKIWATTACVJR-UHFFFAOYSA-N

Formula

C5H11NO

SMILES

CC(=O)CN(C)C

Molecular Weight¹

101.15

Other Names

• (Dimethylamino)acetone
• N,N-Dimethylaminoacetone
• 1-(Dimethylamino)-2-propanone
• 1-Dimethylaminoacetone
• (CH3)2NCH2COCH3

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3680		Relay (1.0) Calculated Property
ΔcH°liquid	-3315.90 ± 2.90	kJ/mol	NIST
ΔfG°	-26.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-180.10 ± 2.90	kJ/mol	NIST
ΔfH°liquid	-223.70 ± 2.90	kJ/mol	NIST
ΔfusH°	13.33	kJ/mol	Joback Calculated Property
ΔvapH°	[43.60; 43.60]	kJ/mol
ΔvapH°	43.60 ± 0.25	kJ/mol	NIST
ΔvapH°	43.60 ± 0.30	kJ/mol	NIST
IE	[7.71; 8.65]	eV
IE	7.71 ± 0.03	eV	NIST
IE	7.71 ± 0.05	eV	NIST
IE	8.65	eV	NIST
log10WS	0.84		Relay (1.0) Calculated Property
logPoct/wat	0.137		Crippen Calculated Property
McVol	92.860	ml/mol	McGowan Calculated Property
Pc	3731.66	kPa	Joback Calculated Property
Inp	[712.00; 712.00]
Inp	712.00		NIST
Inp	712.00		NIST
Tboil	392.70	K	NIST
Tc	583.91	K	Relay (1.0) Calculated Property
Tfus	225.70	K	Relay (1.0) Calculated Property
Vc	0.357	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.98; 304.33]	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			-4.98900e+00
Coefficient B			5.74760e-01
Coefficient C			-3.42100e-04
Coefficient D			7.66600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.98	J/mol×K	273.00	Calculated Property
Cp,gas	158.93	J/mol×K	353.78	Calculated Property
Cp,gas	186.47	J/mol×K	434.56	Calculated Property
Cp,gas	210.84	J/mol×K	515.33	Calculated Property
Cp,gas	232.31	J/mol×K	596.11	Calculated Property
Cp,gas	251.09	J/mol×K	676.89	Calculated Property
Cp,gas	267.44	J/mol×K	757.67	Calculated Property
Cp,gas	281.61	J/mol×K	838.44	Calculated Property
Cp,gas	293.82	J/mol×K	919.22	Calculated Property
Cp,gas	304.33	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

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

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