Chemical Properties of Benzenamine, 2-methyl-5-nitro- (CAS 99-55-8)

InChI

InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3

InChI Key

DSBIJCMXAIKKKI-UHFFFAOYSA-N

Formula

C7H8N2O2

SMILES

Cc1ccc([N+](=O)[O-])cc1N

Molecular Weight¹

152.15

CAS

99-55-8

Other Names

• (2-Methyl-5-nitrophenyl)amine
• 1-Methyl-2-amino-4-nitrobenzene
• 2-Amino-4-nitrotoluene
• 2-Methyl-5-nitro-benzeneamine
• 2-Methyl-5-nitroaniline
• 2-Methyl-5-nitrobenzenamine
• 3-Nitro-6-methylaniline
• 4-Nitro-2-aminotoluene
• 5-Nitro-O-toluidine
• 6-Methyl-3-nitroaniline
• Amarthol Fast Scarlet G Base
• Amarthol Fast Scarlet G Salt
• Azoene Fast Scarlet G Salt
• Azoene fast scarlet gc base
• Azoene fast scarlet gc salt
• Azofix scarlet g salt
• Azogene fast scarlet g
• Azoic diazo component 12, base
• C.I. 37105
• C.I. Azoic diazo component 12
• Conazoic Diazo AB
• Dainichi Fast Scarlet G Base
• Daito scarlet base g
• Devol scarlet b
• Devol scarlet g salt
• Diabase scarlet g
• Diazo fast scarlet g
• Fast Scarlet M 4NT Base
• Fast red sg base
• Fast scarlet base G
• Fast scarlet base j
• Fast scarlet g
• Fast scarlet g base
• Fast scarlet g salt
• Fast scarlet gc base
• Fast scarlet j salt
• Fast scarlet t base
• Hiltonil fast scarlet g base
• Hiltonil fast scarlet g salt
• Hiltonil fast scarlet gc base
• Kayaku scarlet g base
• Lake scarlet g base
• Lithosol orange R base
• Mitsui scarlet g base
• NCI-C01843
• Naphthanil scarlet g base
• Naphtoelan fast scarlet g base
• Naphtoelan fast scarlet g salt
• PNOT
• RCRA waste number U181
• Scarlet base NSP
• Scarlet base ciba II
• Scarlet base irga II
• Scarlet g base
• Sugai fast scarlet g base
• Symulon scarlet g base
• o-Toluidine, 5-nitro-

• Δ_cH°_solid : Standard solid 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• P_vap : Vapor 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
ΔcH°solid	[-3811.70; -3809.30]	kJ/mol
ΔcH°solid	-3809.30 ± 1.30	kJ/mol	NIST
ΔcH°solid	-3811.70 ± 1.40	kJ/mol	NIST
ΔfG°	203.21	kJ/mol	Joback Calculated Property
ΔfH°gas	48.81	kJ/mol	Joback Calculated Property
ΔfusH°	23.71	kJ/mol	Joback Calculated Property
ΔvapH°	62.01	kJ/mol	Joback Calculated Property
log10WS	-2.23		Crippen Calculated Property
logPoct/wat	1.485		Crippen Calculated Property
McVol	113.130	ml/mol	McGowan Calculated Property
Pc	4328.25	kPa	Joback Calculated Property
Inp	[272.14; 272.81]
Inp	272.14		NIST
Inp	272.81		NIST
Tboil	620.57	K	Joback Calculated Property
Tc	879.01	K	Joback Calculated Property
Tfus	446.98	K	Joback Calculated Property
Vc	0.430	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[269.53; 321.82]	J/mol×K	[620.57; 879.01]
Cp,gas	269.53	J/mol×K	620.57	Joback Calculated Property
Cp,gas	280.15	J/mol×K	663.64	Joback Calculated Property
Cp,gas	289.96	J/mol×K	706.72	Joback Calculated Property
Cp,gas	299.00	J/mol×K	749.79	Joback Calculated Property
Cp,gas	307.29	J/mol×K	792.87	Joback Calculated Property
Cp,gas	314.89	J/mol×K	835.94	Joback Calculated Property
Cp,gas	321.82	J/mol×K	879.01	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[397.52; 614.02]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.25107e+01
Coefficient B			-3.79209e+03
Coefficient C			-8.72810e+01
Temperature range, min.			397.52
Temperature range, max.			614.02
Pvap	1.33	kPa	397.52	Calculated Property
Pvap	3.21	kPa	421.58	Calculated Property
Pvap	6.88	kPa	445.63	Calculated Property
Pvap	13.39	kPa	469.69	Calculated Property
Pvap	24.08	kPa	493.74	Calculated Property
Pvap	40.55	kPa	517.80	Calculated Property
Pvap	64.63	kPa	541.85	Calculated Property
Pvap	98.29	kPa	565.91	Calculated Property
Pvap	143.60	kPa	589.96	Calculated Property
Pvap	202.66	kPa	614.02	Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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