Chemical Properties of DIETHYLPROPION

InChI

InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3

InChI Key

XXEPPPIWZFICOJ-UHFFFAOYSA-N

Formula

C13H19NO

SMILES

CCN(CC)C(C)C(=O)c1ccccc1

Molecular Weight¹

205.30

Other Names

• Amfepramone
• 1-Propanone, 2-(diethylamino)-1-phenyl-
• Diethylcathionine
• Propiophenone, 2-(diethylamino)-
• «alpha»-Benzoyltriethylamine
• Adiposon
• Amfepramon
• Amphepramon
• Amphepramone
• Anorex
• Cegramine
• Danylen
• Derfon
• Diethylpropione
• Dobesin
• Frekentine
• Magrene
• Neobes
• Nopropiophenone
• Obesitex
• Silutin
• Tepanil
• Tylinal
• 2-(Diethylaminopropio)phenone
• «alpha»-Diethylaminopropiophenone
• Fenyl-(1-diethylaminoethyl)keton
• 1-Phenyl-2-diethylamino-1-propanone
• UR 1423
• Tenuate

• 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.
• I_p : 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	0.4934		Relay (1.0) Calculated Property
ΔcH°liquid	-7635.30 ± 1.10	kJ/mol	NIST
ΔfG°	150.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-124.10 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-195.70 ± 1.10	kJ/mol	NIST
ΔfusH°	24.56	kJ/mol	Joback Calculated Property
ΔvapH°	[71.60; 71.60]	kJ/mol
ΔvapH°	71.60 ± 1.00	kJ/mol	NIST
ΔvapH°	71.60 ± 1.00	kJ/mol	NIST
IE	7.88	eV	Relay (1.0) Calculated Property
log10WS	-1.66		Relay (1.0) Calculated Property
logPoct/wat	2.600		Crippen Calculated Property
McVol	181.820	ml/mol	McGowan Calculated Property
Pc	2342.82	kPa	Joback Calculated Property
Inp	[1465.00; 1518.00]
Inp	1476.00		NIST
Inp	1489.00		NIST
Inp	1490.00		NIST
Inp	Outlier 1518.00		NIST
Inp	1490.00		NIST
Inp	1480.00		NIST
Inp	Outlier 1515.00		NIST
Inp	1470.00		NIST
Inp	1495.00		NIST
Inp	1483.00		NIST
Inp	1472.00		NIST
Inp	1477.00		NIST
Inp	1478.00		NIST
Inp	1495.00		NIST
Inp	1500.00		NIST
Inp	1503.00		NIST
Inp	1470.00		NIST
Inp	1465.00		NIST
Inp	1475.00		NIST
Inp	1483.00		NIST
Inp	1480.00		NIST
Inp	1470.00		NIST
Inp	1486.00		NIST
Inp	1485.00		NIST
Inp	1470.00		NIST
Inp	1476.00		NIST
Inp	1483.00		NIST
Inp	1490.00		NIST
Ip	[1965.00; 2032.00]
Ip	1965.00		NIST
Ip	1965.00		NIST
Ip	1982.00		NIST
Ip	1991.00		NIST
Ip	1999.00		NIST
Ip	2011.00		NIST
Ip	2023.00		NIST
Ip	2032.00		NIST
Ip	1982.00		NIST
Ip	2032.00		NIST
Ip	1965.00		NIST
Tboil	544.56	K	Relay (1.0) Calculated Property
Tc	746.86	K	Relay (1.0) Calculated Property
Tfus	314.59	K	Relay (1.0) Calculated Property
Vc	0.638	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.12; 599.07]	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			-4.78480e+01
Coefficient B			1.26176e+00
Coefficient C			-8.11700e-04
Coefficient D			1.96860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.12	J/mol×K	273.00	Calculated Property
Cp,gas	305.66	J/mol×K	353.78	Calculated Property
Cp,gas	363.33	J/mol×K	434.56	Calculated Property
Cp,gas	413.76	J/mol×K	515.33	Calculated Property
Cp,gas	457.57	J/mol×K	596.11	Calculated Property
Cp,gas	495.37	J/mol×K	676.89	Calculated Property
Cp,gas	527.81	J/mol×K	757.67	Calculated Property
Cp,gas	555.48	J/mol×K	838.44	Calculated Property
Cp,gas	579.03	J/mol×K	919.22	Calculated Property
Cp,gas	599.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to DIETHYLPROPION.

Sources

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

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