Chemical Properties of N,N-Dimethyl-2-(2-nitro-phenyl)-2-(4-nitro-phenyl)-acetamide

InChI

InChI=1S/C16H15N3O5/c1-17(2)16(20)15(11-7-9-12(10-8-11)18(21)22)13-5-3-4-6-14(13)19(23)24/h3-10,15H,1-2H3

InChI Key

HEPKFPDWGTVMJW-UHFFFAOYSA-N

Formula

C16H15N3O5

SMILES

CN(C)C(=O)C(c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-]

Molecular Weight¹

329.31

• ω : Acentric Factor.
• 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).
• 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
ω	0.8106		Relay (1.0) Calculated Property
ΔfG°	339.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-18.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.32	kJ/mol	Joback Calculated Property
ΔvapH°	111.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-3.71		Relay (1.0) Calculated Property
logPoct/wat	2.723		Crippen Calculated Property
McVol	235.170	ml/mol	McGowan Calculated Property
Pc	2429.05	kPa	Joback Calculated Property
Inp	[2641.00; 2658.00]
Inp	2641.00		NIST
Inp	2658.00		NIST
Tboil	631.80	K	Relay (1.0) Calculated Property
Tc	991.48	K	Relay (1.0) Calculated Property
Tfus	414.45	K	Relay (1.0) Calculated Property
Vc	0.804	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[721.31; 768.65]	J/mol×K	[998.35; 1268.64]
Cp,gas	721.31	J/mol×K	998.35	Joback Calculated Property
Cp,gas	731.32	J/mol×K	1043.40	Joback Calculated Property
Cp,gas	740.29	J/mol×K	1088.45	Joback Calculated Property
Cp,gas	748.38	J/mol×K	1133.49	Joback Calculated Property
Cp,gas	755.71	J/mol×K	1178.54	Joback Calculated Property
Cp,gas	762.42	J/mol×K	1223.59	Joback Calculated Property
Cp,gas	768.65	J/mol×K	1268.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to N,N-Dimethyl-2-(2-nitro-phenyl)-2-(4-nitro-phenyl)-acetamide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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