Chemical Properties of Benzenamine, N,N-dimethyl-4-nitro- (CAS 100-23-2)

InChI

InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3

InChI Key

QJAIOCKFIORVFU-UHFFFAOYSA-N

Formula

C8H10N2O2

SMILES

CN(C)c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

166.18

CAS

100-23-2

Other Names

• 1-(Dimethylamino)-4-nitrobenzene
• 4-(Dimethylamino)nitrobenzene
• 4-Nitro-N,N-dimethylaniline
• 4-Nitrodimethylaniline
• Aniline, N,N-dimethyl-p-nitro-
• N,N-Dimethyl-4-nitroaniline
• N,N-Dimethyl-4-nitrobenzenamine
• N,N-Dimethyl-p-nitroaniline
• NSC 9815
• p-(Dimethylamino)nitrobenzene
• p-Nitro-N,N-dimethylaniline
• p-Nitrodimethylaniline

• ω : Acentric Factor.
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5650		Relay (1.0) Calculated Property
PAff	896.70	kJ/mol	NIST
BasG	870.20	kJ/mol	NIST
ΔcH°solid	[-4541.87; -4538.70]	kJ/mol
ΔcH°solid	-4538.70 ± 1.20	kJ/mol	NIST
ΔcH°solid	-4541.87 ± 0.94	kJ/mol	NIST
ΔfG°	265.59	kJ/mol	Joback Calculated Property
ΔfH°gas	[62.80; 67.30]	kJ/mol
ΔfH°gas	62.80 ± 2.60	kJ/mol	NIST
ΔfH°gas	67.30 ± 1.70	kJ/mol	NIST
ΔfH°solid	[-38.50; -35.40]	kJ/mol
ΔfH°solid	-38.50 ± 1.60	kJ/mol	NIST
ΔfH°solid	-35.40 ± 1.40	kJ/mol	NIST
ΔfusH°	24.51	kJ/mol	Joback Calculated Property
ΔsubH°	[101.30; 102.70]	kJ/mol
ΔsubH°	101.30 ± 2.00	kJ/mol	NIST
ΔsubH°	101.30 ± 2.00	kJ/mol	NIST
ΔsubH°	102.70 ± 1.10	kJ/mol	NIST
ΔsubH°	102.70 ± 1.00	kJ/mol	NIST
ΔvapH°	77.40	kJ/mol	Relay (1.0) Calculated Property
IE	[7.60; 8.00]	eV
IE	7.60 ± 0.10	eV	NIST
IE	8.00	eV	NIST
log10WS	-2.86		Relay (1.0) Calculated Property
logPoct/wat	1.661		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Pc	3628.97	kPa	Joback Calculated Property
Tboil	546.56	K	Relay (1.0) Calculated Property
Tc	785.77	K	Relay (1.0) Calculated Property
Tfus	436.90 ± 1.00	K	NIST

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.17; 394.75]	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			-2.91900e+01
Coefficient B			8.48700e-01
Coefficient C			-5.66560e-04
Coefficient D			1.41800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.17	J/mol×K	273.00	Calculated Property
Cp,gas	206.43	J/mol×K	353.78	Calculated Property
Cp,gas	244.27	J/mol×K	434.56	Calculated Property
Cp,gas	277.12	J/mol×K	515.33	Calculated Property
Cp,gas	305.44	J/mol×K	596.11	Calculated Property
Cp,gas	329.68	J/mol×K	676.89	Calculated Property
Cp,gas	350.28	J/mol×K	757.67	Calculated Property
Cp,gas	367.69	J/mol×K	838.44	Calculated Property
Cp,gas	382.37	J/mol×K	919.22	Calculated Property
Cp,gas	394.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[379.35; 651.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.07012e+01
Coefficient B			-3.04507e+03
Coefficient C			-8.69330e+01
Temperature range, min.			379.35
Temperature range, max.			651.91
Pvap	1.33	kPa	379.35	Calculated Property
Pvap	3.54	kPa	409.63	Calculated Property
Pvap	7.96	kPa	439.92	Calculated Property
Pvap	15.74	kPa	470.20	Calculated Property
Pvap	28.16	kPa	500.49	Calculated Property
Pvap	46.55	kPa	530.77	Calculated Property
Pvap	72.14	kPa	561.06	Calculated Property
Pvap	106.09	kPa	591.34	Calculated Property
Pvap	149.33	kPa	621.63	Calculated Property
Pvap	202.64	kPa	651.91	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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