- InChI
- InChI=1S/C14H12N2O4/c1-20-13-7-5-10(6-8-13)14(17)15-11-3-2-4-12(9-11)16(18)19/h2-9H,1H3,(H,15,17)
- InChI Key
- LIBZVTMLPNDDQD-UHFFFAOYSA-N
- Formula
- C14H12N2O4
- SMILES
-
COc1ccc(C(=O)Nc2cccc([N+](=O)[
O-])c2)cc1 - Molecular Weight1
- 272.26
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7949 | Relay (1.0) Calculated Property | |
| ΔfG° | 163.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -136.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.856 | Crippen Calculated Property | |
| McVol | 195.440 | ml/mol | McGowan Calculated Property |
| Pc | 2893.62 | kPa | Joback Calculated Property |
| Tboil | 656.84 | K | Relay (1.0) Calculated Property |
| Tc | 986.91 | K | Relay (1.0) Calculated Property |
| Tfus | 422.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.685 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [557.65; 607.06] | J/mol×K | [861.34; 1119.41] | 
|
| Cp,gas | 557.65 | J/mol×K | 861.34 | Joback Calculated Property |
| Cp,gas | 568.74 | J/mol×K | 904.35 | Joback Calculated Property |
| Cp,gas | 578.61 | J/mol×K | 947.36 | Joback Calculated Property |
| Cp,gas | 587.31 | J/mol×K | 990.38 | Joback Calculated Property |
| Cp,gas | 594.92 | J/mol×K | 1033.39 | Joback Calculated Property |
| Cp,gas | 601.48 | J/mol×K | 1076.40 | Joback Calculated Property |
| Cp,gas | 607.06 | J/mol×K | 1119.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-nitrophenyl)-4-methoxy-.
Sources
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