Chemical Properties of N,N-Diethyl-p-nitroaniline (CAS 2216-15-1)

InChI

InChI=1S/C10H14N2O2/c1-3-11(4-2)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3

InChI Key

CFPIZMWTMRWZRO-UHFFFAOYSA-N

Formula

C10H14N2O2

SMILES

CCN(CC)c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

194.23

CAS

2216-15-1

Other Names

• Benzenamine, N,N-diethyl-4-nitro-
• Diethyl-(4-nitrophenyl)amine
• N,N-diethyl-4-nitroaniline
• p-Nitro-N,N-diethylaniline

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.59; 497.93]	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			-3.10080e+01
Coefficient B			1.03870e+00
Coefficient C			-6.75360e-04
Coefficient D			1.65600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.59	J/mol×K	273.00	Calculated Property
Cp,gas	259.27	J/mol×K	353.78	Calculated Property
Cp,gas	306.42	J/mol×K	434.56	Calculated Property
Cp,gas	347.58	J/mol×K	515.33	Calculated Property
Cp,gas	383.26	J/mol×K	596.11	Calculated Property
Cp,gas	414.00	J/mol×K	676.89	Calculated Property
Cp,gas	440.31	J/mol×K	757.67	Calculated Property
Cp,gas	462.72	J/mol×K	838.44	Calculated Property
Cp,gas	481.75	J/mol×K	919.22	Calculated Property
Cp,gas	497.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[426.76; 679.58]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.18554e+01
Coefficient B			-3.80950e+03
Coefficient C			-9.74420e+01
Temperature range, min.			426.76
Temperature range, max.			679.58
Pvap	1.33	kPa	426.76	Calculated Property
Pvap	3.31	kPa	454.85	Calculated Property
Pvap	7.20	kPa	482.94	Calculated Property
Pvap	14.08	kPa	511.03	Calculated Property
Pvap	25.29	kPa	539.12	Calculated Property
Pvap	42.36	kPa	567.22	Calculated Property
Pvap	66.94	kPa	595.31	Calculated Property
Pvap	100.73	kPa	623.40	Calculated Property
Pvap	145.42	kPa	651.49	Calculated Property
Pvap	202.64	kPa	679.58	Calculated Property

Similar Compounds

Find more compounds similar to N,N-Diethyl-p-nitroaniline.

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
• 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.
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