Chemical Properties of Benzenamine, N,N-dimethyl-4-nitroso- (CAS 138-89-6)

InChI

InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3

InChI Key

CMEWLCATCRTSGF-UHFFFAOYSA-N

Formula

C8H10N2O

SMILES

CN(C)c1ccc(N=O)cc1

Molecular Weight¹

150.18

CAS

138-89-6

Other Names

• Aniline, N,N-dimethyl-p-nitroso-
• p-(Dimethylamino)nitrosobenzene
• p-(N,N-Dimethylamino)nitrosobenzene
• p-Nitroso-N,N-dimethylaniline
• Accelerine
• Dimethyl(p-nitrosophenyl)amine
• N,N-Dimethyl-p-nitrosoaniline
• N,N-Dimethyl-4-nitrosoaniline
• NDMA
• Ultra Brilliant Blue P
• 4-(Dimethylamino)nitrosobenzene
• 4-Nitroso-N,N-dimethylaniline
• 4-Nitrosodimethylaniline
• p-Nitroso dimethylaniline
• p-Nitrosodimethylanilide
• NCI-C01821
• Dimethyl-p-nitrosoaniline
• Paranitrosodimethylanilide
• UN 1369
• Vulcaniline
• N,N-Dimethyl-4-nitrosobenzenamine
• NSC 2775

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase 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_subH° : Enthalpy of sublimation 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).
• 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	0.5804		Relay (1.0) Calculated Property
ΔcH°solid	[-4703.20; -4680.20]	kJ/mol
ΔcH°solid	-4680.20 ± 1.20	kJ/mol	NIST
ΔcH°solid	-4703.20	kJ/mol	NIST
ΔfG°	229.02	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	185.00 ± 2.30	kJ/mol	NIST
ΔfH°solid	103.00 ± 1.60	kJ/mol	NIST
ΔsubH°	[82.00; 82.00]	kJ/mol
ΔsubH°	82.00 ± 1.70	kJ/mol	NIST
ΔsubH°	82.00 ± 1.70	kJ/mol	NIST
ΔvapH°	75.00	kJ/mol	Relay (1.0) Calculated Property
IE	[7.20; 7.80]	eV
IE	7.20	eV	NIST
IE	7.80 ± 0.10	eV	NIST
log10WS	-2.36		Relay (1.0) Calculated Property
logPoct/wat	2.151		Crippen Calculated Property
McVol	121.350	ml/mol	McGowan Calculated Property
Pc	3501.28	kPa	Joback Calculated Property
Tboil	537.36	K	Relay (1.0) Calculated Property
Tc	740.50	K	Relay (1.0) Calculated Property
Tfus	358.90 ± 0.70	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

Similar Compounds

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

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
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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