Chemical Properties of N-Nitrosodiphenylamine (CAS 86-30-6)

InChI

InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChI Key

UBUCNCOMADRQHX-UHFFFAOYSA-N

Formula

C12H10N2O

SMILES

O=NN(c1ccccc1)c1ccccc1

Molecular Weight¹

198.22

CAS

86-30-6

Other Names

• Curetard A
• Delac J
• Difenylnitrosamin
• Diphenyl N-nitrosoamine
• Diphenylamine, N-nitroso-
• Diphenylnitrosamin
• N,N-Diphenyl-N-nitrosoamine
• N,N-diphenylnitrosamine
• N-Nitroso-N-diphenylamine
• N-Nitrosodifenylamin
• N-nitroso-N-phenylaniline
• N-nitroso-N-phenylbenzenamine
• NCI-C02880
• NSC 585
• Naugard tjb
• Ndpa
• NdphA
• Nitrosodiphenylamine
• Ortard
• Redax
• Retarder J
• Sconoc
• TJB
• Vulcatard
• Vulcatard A
• Vulkalent A
• Vultrol
• benzenamine, N-nitroso-N-phenyl-
• diphenylamine, N-nitroso
• diphenylnitrosamine
• vulcalent A

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6574		Relay (1.0) Calculated Property
ΔcH°solid	[-6388.59; -6378.50]	kJ/mol
ΔcH°solid	-6378.50 ± 6.30	kJ/mol	NIST
ΔcH°solid	-6388.59	kJ/mol	NIST
ΔfG°	392.48	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	316.68	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[227.00; 237.30]	kJ/mol
ΔfH°solid	227.00 ± 6.30	kJ/mol	NIST
ΔfH°solid	237.30	kJ/mol	NIST
ΔfusH°	11.06	kJ/mol	Measurement and prediction of (solid + liquid) equilibria of gun powder's and propellant's stabilizers mixtures
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-3.75		Aq. Solubility Prediction
logPoct/wat	3.506		Crippen Calculated Property
McVol	153.950	ml/mol	McGowan Calculated Property
Pc	3348.98	kPa	Joback Calculated Property
Inp	[274.90; 1865.00]
Inp	1865.00		NIST
Inp	274.90		NIST
Tboil	586.23	K	Relay (1.0) Calculated Property
Tc	878.12	K	Relay (1.0) Calculated Property
Tfus	339.65	K	Aq. Solubility Prediction

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions 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.

Similar Compounds

Find more compounds similar to N-Nitrosodiphenylamine.

Mixtures

• Diphenylamine + N-Nitrosodiphenylamine

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
• Measurement and prediction of (solid + liquid) equilibria of gun powder's and propellant's stabilizers mixtures
• 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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