- InChI
- InChI=1S/C12H10ClN3O3/c13-11-7-9(16(18)19)3-4-10(11)12(17)15(6-5-14)8-1-2-8/h3-4,7-8H,1-2,6H2
- InChI Key
- SCHJGZHAVVNDDB-UHFFFAOYSA-N
- Formula
- C12H10ClN3O3
- SMILES
-
N#CCN(C(=O)c1ccc([N+](=O)[O-])
cc1Cl)C1CC1 - Molecular Weight1
- 279.68
- CAS
- 22977-92-0
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 342.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 88.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.06 | kJ/mol | Joback Calculated Property |
| log10WS | -4.08 | Crippen Calculated Property | |
| logPoct/wat | 2.376 | Crippen Calculated Property | |
| McVol | 187.910 | ml/mol | McGowan Calculated Property |
| Pc | 2690.21 | kPa | Joback Calculated Property |
| Tboil | 875.00 | K | Joback Calculated Property |
| Tc | 1129.47 | K | Joback Calculated Property |
| Tfus | 615.32 | K | Joback Calculated Property |
| Vc | 0.738 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.21; 574.47] | J/mol×K | [875.00; 1129.47] | 
|
| Cp,gas | 525.21 | J/mol×K | 875.00 | Joback Calculated Property |
| Cp,gas | 534.82 | J/mol×K | 917.41 | Joback Calculated Property |
| Cp,gas | 543.71 | J/mol×K | 959.82 | Joback Calculated Property |
| Cp,gas | 552.01 | J/mol×K | 1002.24 | Joback Calculated Property |
| Cp,gas | 559.82 | J/mol×K | 1044.65 | Joback Calculated Property |
| Cp,gas | 567.26 | J/mol×K | 1087.06 | Joback Calculated Property |
| Cp,gas | 574.47 | J/mol×K | 1129.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-chloro-n-cyanomethyl-n-cyclopropyl-4-nitro-.
Sources
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