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

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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 48.32 kJ/mol Joback Calculated Property
ΔvapH° 112.78 kJ/mol 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
Inp [2641.00; 2658.00]   Show Hide
Inp 2641.00 NIST
Inp 2658.00 NIST
Tboil 631.80 K Relay (1.0) Calculated Property
Tfus 406.83 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [305.95; 721.70] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.49000e+01
Coefficient B1.54756e+00
Coefficient C-1.02882e-03
Coefficient D2.47860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 305.95 J/mol×K 273.00 Calculated Property
Cp,gas 384.80 J/mol×K 353.78 Calculated Property
Cp,gas 453.66 J/mol×K 434.56 Calculated Property
Cp,gas 513.31 J/mol×K 515.33 Calculated Property
Cp,gas 564.53 J/mol×K 596.11 Calculated Property
Cp,gas 608.11 J/mol×K 676.89 Calculated Property
Cp,gas 644.84 J/mol×K 757.67 Calculated Property
Cp,gas 675.49 J/mol×K 838.44 Calculated Property
Cp,gas 700.85 J/mol×K 919.22 Calculated Property
Cp,gas 721.70 J/mol×K 1000.00 Calculated Property

Similar Compounds

N,N-Dimethyl-2-(2-nitro-phenyl)-2-phenyl-acetamide. N,N-Dimethyl-2,2-bis-(2-nitro-phenyl)-acetamide. N,N-Dimethyl-2-(2-nitro-phenyl)-2-(3-nitro-phenyl)-acetamide. 2-Nitrophenyl-4-nitrophenylacetic acid, methyl ester. Phenyl-2-nitrophenylacetic acid, methyl ester. bis-(2-Nitrophenyl)acetic acid, methyl ester. N,N-Dimethyl-2-(3-nitro-phenyl)-2-(4-nitro-phenyl)-acetamide. 2-Nitrophenyl-3-nitrophenylacetic acid, methyl ester. Nomifemsine M(HO), diacetylated, isomer # 2. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (HO-) AC. Mirtazapine-M (nor-HO-) 2AC. 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate (ester). 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cycloheptene. MIANSERIN.

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

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.