- InChI
- InChI=1S/C14H12N2O3/c1-10-4-2-5-11(8-10)14(17)15-12-6-3-7-13(9-12)16(18)19/h2-9H,1H3,(H,15,17)
- InChI Key
- IODIHKWIRVQZRS-UHFFFAOYSA-N
- Formula
- C14H12N2O3
- SMILES
-
Cc1cccc(C(=O)Nc2cccc([N+](=O)[
O-])c2)c1 - Molecular Weight1
- 256.26
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7379 | Relay (1.0) Calculated Property | |
| ΔfG° | 268.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -27.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.156 | Crippen Calculated Property | |
| McVol | 189.570 | ml/mol | McGowan Calculated Property |
| Pc | 2947.28 | kPa | Joback Calculated Property |
| Inp | [2529.00; 2529.00] |
|
|
| Inp | 2529.00 | NIST | |
| Inp | 2529.00 | NIST | |
| Tboil | 637.19 | K | Relay (1.0) Calculated Property |
| Tc | 984.94 | K | Relay (1.0) Calculated Property |
| Tfus | 407.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.668 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [533.12; 587.48] | J/mol×K | [838.92; 1101.14] |
|
| Cp,gas | 533.12 | J/mol×K | 838.92 | Joback Calculated Property |
| Cp,gas | 544.78 | J/mol×K | 882.62 | Joback Calculated Property |
| Cp,gas | 555.28 | J/mol×K | 926.33 | Joback Calculated Property |
| Cp,gas | 564.72 | J/mol×K | 970.03 | Joback Calculated Property |
| Cp,gas | 573.17 | J/mol×K | 1013.74 | Joback Calculated Property |
| Cp,gas | 580.72 | J/mol×K | 1057.44 | Joback Calculated Property |
| Cp,gas | 587.48 | J/mol×K | 1101.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-nitrophenyl)-3-methyl-.
Sources
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