Chemical Properties of DIETHYLAMINOACETONE

InChI

InChI=1S/C7H15NO/c1-4-8(5-2)6-7(3)9/h4-6H2,1-3H3

InChI Key

GDXMMBDEMOUTNS-UHFFFAOYSA-N

Formula

C7H15NO

SMILES

CCN(CC)CC(C)=O

Molecular Weight¹

129.20

Other Names

• 2-Propanone, 1-(diethylamino)-
• N,N-Diethylaminoacetone

• 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_boilr : Boiling point at reduced pressure (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	0.4213		Relay (1.0) Calculated Property
ΔcH°liquid	-4617.30 ± 2.10	kJ/mol	NIST
ΔfG°	-10.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-233.30 ± 2.20	kJ/mol	NIST
ΔfH°liquid	-281.00 ± 2.20	kJ/mol	NIST
ΔfusH°	18.51	kJ/mol	Joback Calculated Property
ΔvapH°	[47.70; 47.70]	kJ/mol
ΔvapH°	47.70 ± 0.30	kJ/mol	NIST
ΔvapH°	47.70 ± 0.30	kJ/mol	NIST
IE	7.79	eV	Relay (1.0) Calculated Property
log10WS	0.09		Relay (1.0) Calculated Property
logPoct/wat	0.917		Crippen Calculated Property
McVol	121.040	ml/mol	McGowan Calculated Property
Pc	2989.32	kPa	Joback Calculated Property
Tboil	435.39	K	Relay (1.0) Calculated Property
Tc	610.76	K	Relay (1.0) Calculated Property
Tfus	225.73	K	Relay (1.0) Calculated Property
Vc	0.435	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.41; 407.51]	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			-6.80700e+00
Coefficient B			7.64760e-01
Coefficient C			-4.50900e-04
Coefficient D			1.00460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.41	J/mol×K	273.00	Calculated Property
Cp,gas	211.76	J/mol×K	353.78	Calculated Property
Cp,gas	248.62	J/mol×K	434.56	Calculated Property
Cp,gas	281.30	J/mol×K	515.33	Calculated Property
Cp,gas	310.13	J/mol×K	596.11	Calculated Property
Cp,gas	335.41	J/mol×K	676.89	Calculated Property
Cp,gas	357.48	J/mol×K	757.67	Calculated Property
Cp,gas	376.64	J/mol×K	838.44	Calculated Property
Cp,gas	393.21	J/mol×K	919.22	Calculated Property
Cp,gas	407.51	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to DIETHYLAMINOACETONE.

Sources

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

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