![Benzamide,n-[2-(2-cyano)propyl]-2-chloro-4-nitro-](/cid/115-480-1/Benzamide-n-2-2-cyano-propyl-2-chloro-4-nitro.png "Benzamide,n-[2-(2-cyano)propyl]-2-chloro-4-nitro-")
- InChI
- InChI=1S/C11H10ClN3O3/c1-11(2,6-13)14-10(16)8-4-3-7(15(17)18)5-9(8)12/h3-5H,1-2H3,(H,14,16)
- InChI Key
- UBQKIFJOOGUFPP-UHFFFAOYSA-N
- Formula
- C11H10ClN3O3
- SMILES
-
CC(C)(C#N)NC(=O)c1ccc([N+](=O)
[O-])cc1Cl - Molecular Weight1
- 267.67
- CAS
- 22977-97-5
- 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 | 0.7257 | Relay (1.0) Calculated Property | |
| ΔfG° | 255.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -60.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.280 | Crippen Calculated Property | |
| McVol | 184.680 | ml/mol | McGowan Calculated Property |
| Pc | 2690.21 | kPa | Joback Calculated Property |
| Tboil | 592.51 | K | Relay (1.0) Calculated Property |
| Tc | 901.13 | K | Relay (1.0) Calculated Property |
| Tfus | 410.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.94; 539.59] | J/mol×K | [879.88; 1137.96] | 
|
| Cp,gas | 498.94 | J/mol×K | 879.88 | Joback Calculated Property |
| Cp,gas | 507.37 | J/mol×K | 922.89 | Joback Calculated Property |
| Cp,gas | 515.02 | J/mol×K | 965.91 | Joback Calculated Property |
| Cp,gas | 521.97 | J/mol×K | 1008.92 | Joback Calculated Property |
| Cp,gas | 528.32 | J/mol×K | 1051.93 | Joback Calculated Property |
| Cp,gas | 534.16 | J/mol×K | 1094.95 | Joback Calculated Property |
| Cp,gas | 539.59 | J/mol×K | 1137.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide,n-[2-(2-cyano)propyl]-2-chloro-4-nitro-.
Sources
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