Chemical Properties of Benzenamine, N-methyl-4-nitro- (CAS 100-15-2)

InChI

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

InChI Key

XIFJZJPMHNUGRA-UHFFFAOYSA-N

Formula

C7H8N2O2

SMILES

CNc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

152.15

CAS

100-15-2

Other Names

• 4-Nitro-N-methylaniline
• Aniline, N-methyl-p-nitro-
• N-(4-Nitrophenyl)-N-methylamine
• N-Methyl-4-nitroaniline
• N-Methyl-p-nitraniline
• N-Methyl-p-nitroaniline
• N-Monomethyl-p-nitroaniline
• NSC 5390
• p-(Methylamino)nitrobenzene
• p-Nitro-N-methylaniline

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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).
• 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
PAff	891.60	kJ/mol	NIST
BasG	865.10	kJ/mol	NIST
ΔcH°solid	-3867.00	kJ/mol	NIST
ΔfG°	235.78	kJ/mol	Joback Calculated Property
ΔfH°gas	79.96	kJ/mol	Joback Calculated Property
ΔfusH°	24.00	kJ/mol	Joback Calculated Property
ΔvapH°	57.14	kJ/mol	Joback Calculated Property
IE	[8.10; 8.17]	eV
IE	8.10	eV	NIST
IE	8.17	eV	NIST
log10WS	-2.13		Crippen Calculated Property
logPoct/wat	1.636		Crippen Calculated Property
McVol	113.130	ml/mol	McGowan Calculated Property
Pc	4167.71	kPa	Joback Calculated Property
Inp	1707.00		NIST
Tboil	593.23	K	Joback Calculated Property
Tc	841.00	K	Joback Calculated Property
Tfus	403.86	K	Joback Calculated Property
Vc	0.436	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[263.79; 319.22]	J/mol×K	[593.23; 841.00]
Cp,gas	263.79	J/mol×K	593.23	Joback Calculated Property
Cp,gas	275.04	J/mol×K	634.53	Joback Calculated Property
Cp,gas	285.42	J/mol×K	675.82	Joback Calculated Property
Cp,gas	294.99	J/mol×K	717.12	Joback Calculated Property
Cp,gas	303.78	J/mol×K	758.41	Joback Calculated Property
Cp,gas	311.84	J/mol×K	799.71	Joback Calculated Property
Cp,gas	319.22	J/mol×K	841.00	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[390.22; 617.49]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.20082e+01
Coefficient B			-3.55065e+03
Coefficient C			-8.72810e+01
Temperature range, min.			390.22
Temperature range, max.			617.49
Pvap	1.33	kPa	390.22	Calculated Property
Pvap	3.28	kPa	415.47	Calculated Property
Pvap	7.12	kPa	440.72	Calculated Property
Pvap	13.90	kPa	465.98	Calculated Property
Pvap	24.99	kPa	491.23	Calculated Property
Pvap	41.91	kPa	516.48	Calculated Property
Pvap	66.37	kPa	541.73	Calculated Property
Pvap	100.13	kPa	566.99	Calculated Property
Pvap	144.98	kPa	592.24	Calculated Property
Pvap	202.65	kPa	617.49	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, N-methyl-4-nitro-.

Sources

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

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.