Chemical Properties of Ethanone, 2-amino-1-phenyl- (CAS 613-89-8)

InChI

InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2

InChI Key

HEQOJEGTZCTHCF-UHFFFAOYSA-N

Formula

C8H9NO

SMILES

NCC(=O)c1ccccc1

Molecular Weight¹

135.16

CAS

613-89-8

Other Names

• Acetophenone, 2-amino-
• «omega»-Aminoacetophenone
• 2-Aminoacetophenone
• Phenacylamine
• 2-amino-1-phenylethan-1-one
• 2-Amino-1-phenylethanone

• 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_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	0.4959		Relay (1.0) Calculated Property
ΔfG°	66.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-48.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.31	kJ/mol	Joback Calculated Property
ΔvapH°	66.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-1.18		Relay (1.0) Calculated Property
logPoct/wat	0.828		Crippen Calculated Property
McVol	111.370	ml/mol	McGowan Calculated Property
Pc	4244.08	kPa	Joback Calculated Property
Ip	[2156.00; 2156.00]
Ip	2156.00		NIST
Ip	2156.00		NIST
Tboil	526.09	K	Relay (1.0) Calculated Property
Tc	750.62	K	Relay (1.0) Calculated Property
Tfus	391.30	K	Relay (1.0) Calculated Property
Vc	0.387	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.23; 338.52]	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			-2.44390e+01
Coefficient B			7.18800e-01
Coefficient C			-4.67300e-04
Coefficient D			1.11460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.23	J/mol×K	273.00	Calculated Property
Cp,gas	176.31	J/mol×K	353.78	Calculated Property
Cp,gas	208.82	J/mol×K	434.56	Calculated Property
Cp,gas	237.14	J/mol×K	515.33	Calculated Property
Cp,gas	261.60	J/mol×K	596.11	Calculated Property
Cp,gas	282.57	J/mol×K	676.89	Calculated Property
Cp,gas	300.39	J/mol×K	757.67	Calculated Property
Cp,gas	315.42	J/mol×K	838.44	Calculated Property
Cp,gas	328.02	J/mol×K	919.22	Calculated Property
Cp,gas	338.52	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 2-amino-1-phenyl-.

Sources

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

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