Chemical Properties of Benzenamine, 2-methoxy-5-nitro- (CAS 99-59-2)

InChI

InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3

InChI Key

NIPDVSLAMPAWTP-UHFFFAOYSA-N

Formula

C7H8N2O3

SMILES

COc1ccc([N+](=O)[O-])cc1N

Molecular Weight¹

168.15

CAS

99-59-2

Other Names

• 1-Amino-2-methoxy-5-nitrobenzene
• 1-Methoxy-2-amino-4-nitrobenzene
• 2-Amino-1-methoxy-4-nitrobenzene
• 2-Amino-4-nitroanisole
• 2-Methoxy-5-nitroaniline
• 2-Methoxy-5-nitrobenzenamine
• 3-Amino-4-methoxynitrobenzene
• 3-Nitro-6-methoxyaniline
• 4-Nitro-2-aminoanisole
• 5-Nitro-2-methoxyaniline
• 5-Nitro-o-anisidine
• Aniline, 2-methoxy-5-nitro-
• Azoamine Scarlet K
• Azoamine scarlet
• Azogene ecarlate R
• Azoic diazo component 13, base
• C.I. 37130
• C.I. Azoic diazo component 13
• Fast scarlet R
• NCI-C01934
• NSC 5510
• o-Anisidine nitrate
• o-Anisidine, 5-nitro-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-3666.00 ± 0.58	kJ/mol	NIST
ΔfH°gas	-79.37	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-232.00	kJ/mol	NIST
ΔfusH°	24.89	kJ/mol	Joback Calculated Property
ΔvapH°	79.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-3.17		Aq. Solubility Prediction
logPoct/wat	1.186		Crippen Calculated Property
McVol	119.000	ml/mol	McGowan Calculated Property
Inp	[1764.40; 1764.40]
Inp	1764.40		NIST
Inp	1764.40		NIST
Tboil	579.17	K	Relay (1.0) Calculated Property
Tfus	390.82	K	Aq. Solubility Prediction

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.40; 343.13]	J/mol×K	[643.19; 897.20]
Cp,gas	291.40	J/mol×K	643.19	Joback Calculated Property
Cp,gas	301.92	J/mol×K	685.52	Joback Calculated Property
Cp,gas	311.67	J/mol×K	727.86	Joback Calculated Property
Cp,gas	320.65	J/mol×K	770.19	Joback Calculated Property
Cp,gas	328.88	J/mol×K	812.53	Joback Calculated Property
Cp,gas	336.37	J/mol×K	854.86	Joback Calculated Property
Cp,gas	343.13	J/mol×K	897.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 2-methoxy-5-nitro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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