Chemical Properties of Ethanone, 1-(2-aminophenyl)- (CAS 551-93-9)

InChI

InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3

InChI Key

GTDQGKWDWVUKTI-UHFFFAOYSA-N

Formula

C8H9NO

SMILES

CC(=O)c1ccccc1N

Molecular Weight¹

135.16

CAS

551-93-9

Other Names

• 1-(2-aminophenyl)ethanone
• 1-Acetyl-2-aminobenzene
• 2'-Aminoacetophenone
• 2-Acetylaniline
• 2-Acetylphenylamine
• 2-Aminoacetophenone
• Acetophenone, 2'-amino-
• NSC 8820
• o-Acetylaniline
• o-Aminoacetophenone
• o-Aminoacetylbenzene
• o-Aminophenyl methyl ketone
• ortho-Aminoacetophenone
• ortho-aminoacetophenone (2'-aminoacetophenone)

• ω : Acentric Factor.
• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• 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	0.5190		Relay (1.0) Calculated Property
ΔfG°	56.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-105.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.92	kJ/mol	Joback Calculated Property
ΔvapH°	65.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-1.56		Relay (1.0) Calculated Property
logPoct/wat	1.471		Crippen Calculated Property
McVol	111.370	ml/mol	McGowan Calculated Property
Pc	4162.33	kPa	Joback Calculated Property
Inp	[1260.00; 1325.00]
Inp	1285.00		NIST
Inp	1288.00		NIST
Inp	1315.00		NIST
Inp	1318.00		NIST
Inp	1296.00		NIST
Inp	1299.00		NIST
Inp	1320.00		NIST
Inp	1315.00		NIST
Inp	1322.00		NIST
Inp	1307.00		NIST
Inp	1308.00		NIST
Inp	1308.00		NIST
Inp	1308.00		NIST
Inp	1310.00		NIST
Inp	1316.00		NIST
Inp	1292.00		NIST
Inp	1306.00		NIST
Inp	1306.00		NIST
Inp	1300.00		NIST
Inp	1302.00		NIST
Inp	1299.00		NIST
Inp	1325.00		NIST
Inp	1260.00		NIST
Inp	1292.00		NIST
Inp	1261.00		NIST
Inp	1300.00		NIST
Inp	1262.00		NIST
Inp	1262.00		NIST
Inp	1262.00		NIST
Inp	1288.00		NIST
Inp	1265.00		NIST
Inp	1274.00		NIST
Inp	1260.00		NIST
Inp	1300.00		NIST
Inp	1285.00		NIST
Inp	1300.00		NIST
Inp	1265.00		NIST
Inp	1315.00		NIST
Inp	1308.00		NIST
Inp	1306.00		NIST
Ip	[2181.00; 2270.00]
Ip	2225.00		NIST
Ip	2242.00		NIST
Ip	2240.00		NIST
Ip	2225.00		NIST
Ip	2225.00		NIST
Ip	2223.00		NIST
Ip	2202.00		NIST
Ip	2202.00		NIST
Ip	2222.00		NIST
Ip	2204.00		NIST
Ip	2229.00		NIST
Ip	2222.00		NIST
Ip	2218.00		NIST
Ip	Outlier 2270.00		NIST
Ip	2237.00		NIST
Ip	2200.00		NIST
Ip	2222.00		NIST
Ip	2184.00		NIST
Ip	2182.00		NIST
Ip	2213.00		NIST
Ip	2187.00		NIST
Ip	2252.00		NIST
Ip	2227.00		NIST
Ip	2228.00		NIST
Ip	2238.00		NIST
Ip	2234.00		NIST
Ip	2227.00		NIST
Ip	2223.00		NIST
Ip	2228.00		NIST
Ip	2210.00		NIST
Ip	2200.00		NIST
Ip	2181.00		NIST
Ip	2200.00		NIST
Ip	2187.00		NIST
Ip	2225.00		NIST
Ip	2223.00		NIST
Ip	2229.00		NIST
Tboil	536.21	K	Relay (1.0) Calculated Property
Tc	775.15	K	Relay (1.0) Calculated Property
Tfus	293.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.393	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[141.78; 335.48]	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			-1.01400e+01
Coefficient B			6.59320e-01
Coefficient C			-4.00260e-04
Coefficient D			8.65600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.78	J/mol×K	273.00	Calculated Property
Cp,gas	176.85	J/mol×K	353.78	Calculated Property
Cp,gas	207.89	J/mol×K	434.56	Calculated Property
Cp,gas	235.18	J/mol×K	515.33	Calculated Property
Cp,gas	258.99	J/mol×K	596.11	Calculated Property
Cp,gas	279.60	J/mol×K	676.89	Calculated Property
Cp,gas	297.28	J/mol×K	757.67	Calculated Property
Cp,gas	312.30	J/mol×K	838.44	Calculated Property
Cp,gas	324.95	J/mol×K	919.22	Calculated Property
Cp,gas	335.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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