Chemical Properties of 2-Amino-4-nitrophenol, N-acetyl-

InChI

InChI=1S/C8H8N2O4/c1-5(11)9-7-4-6(10(13)14)2-3-8(7)12/h2-4,12H,1H3,(H,9,11)

InChI Key

GFHYFPARONGSCD-UHFFFAOYSA-N

Formula

C8H8N2O4

SMILES

CC(=O)Nc1cc([N+](=O)[O-])ccc1O

Molecular Weight¹

196.16

• 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.
• 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	0.7522		Relay (1.0) Calculated Property
ΔfG°	-39.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-303.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.97	kJ/mol	Joback Calculated Property
ΔvapH°	97.72	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-1.77		Relay (1.0) Calculated Property
logPoct/wat	1.259		Crippen Calculated Property
McVol	134.660	ml/mol	McGowan Calculated Property
Pc	4869.76	kPa	Joback Calculated Property
Inp	[2111.00; 2111.00]
Inp	2111.00		NIST
Inp	2111.00		NIST
Tboil	561.93	K	Relay (1.0) Calculated Property
Tc	888.70	K	Relay (1.0) Calculated Property
Tfus	425.58	K	Relay (1.0) Calculated Property
Vc	0.459	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[358.98; 406.01]	J/mol×K	[750.60; 1005.88]
Cp,gas	358.98	J/mol×K	750.60	Joback Calculated Property
Cp,gas	368.01	J/mol×K	793.15	Joback Calculated Property
Cp,gas	376.41	J/mol×K	835.69	Joback Calculated Property
Cp,gas	384.30	J/mol×K	878.24	Joback Calculated Property
Cp,gas	391.79	J/mol×K	920.79	Joback Calculated Property
Cp,gas	398.99	J/mol×K	963.34	Joback Calculated Property
Cp,gas	406.01	J/mol×K	1005.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Amino-4-nitrophenol, N-acetyl-.

Sources

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

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