- InChI
- InChI=1S/C13H14ClN3O4/c1-2-21-8-7-16(6-5-15)13(18)11-4-3-10(17(19)20)9-12(11)14/h3-4,9H,2,6-8H2,1H3
- InChI Key
- BCJZEQOLPOOXSP-UHFFFAOYSA-N
- Formula
- C13H14ClN3O4
- SMILES
-
CCOCCN(CC#N)C(=O)c1ccc([N+](=O
)[O-])cc1Cl - Molecular Weight1
- 311.72
- CAS
- 22978-00-3
- 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° | 185.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -136.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.79 | kJ/mol | Joback Calculated Property |
| log10WS | -3.58 | Crippen Calculated Property | |
| logPoct/wat | 2.250 | Crippen Calculated Property | |
| McVol | 218.730 | ml/mol | McGowan Calculated Property |
| Pc | 2121.68 | kPa | Joback Calculated Property |
| Tboil | 913.56 | K | Joback Calculated Property |
| Tc | 1150.05 | K | Joback Calculated Property |
| Tfus | 630.88 | K | Joback Calculated Property |
| Vc | 0.855 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.62; 665.59] | J/mol×K | [913.56; 1150.05] | 
|
| Cp,gas | 622.62 | J/mol×K | 913.56 | Joback Calculated Property |
| Cp,gas | 631.98 | J/mol×K | 952.97 | Joback Calculated Property |
| Cp,gas | 640.41 | J/mol×K | 992.39 | Joback Calculated Property |
| Cp,gas | 647.94 | J/mol×K | 1031.80 | Joback Calculated Property |
| Cp,gas | 654.62 | J/mol×K | 1071.22 | Joback Calculated Property |
| Cp,gas | 660.49 | J/mol×K | 1110.63 | Joback Calculated Property |
| Cp,gas | 665.59 | J/mol×K | 1150.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-chloro-n-cyanomethyl-n-(2-ethoxyethyl)-4-nitro-.
Sources
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