- InChI
- InChI=1S/C10H9N3O3/c11-6-1-7-12-10(14)8-2-4-9(5-3-8)13(15)16/h2-5H,1,7H2,(H,12,14)
- InChI Key
- IWRJJZIUBZXAMG-UHFFFAOYSA-N
- Formula
- C10H9N3O3
- SMILES
-
N#CCCNC(=O)c1ccc([N+](=O)[O-])
cc1 - Molecular Weight1
- 219.20
- CAS
- 1141-61-3
- 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 | 0.7710 | Relay (1.0) Calculated Property | |
| ΔfG° | 265.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 26.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.238 | Crippen Calculated Property | |
| McVol | 158.350 | ml/mol | McGowan Calculated Property |
| Pc | 3089.85 | kPa | Joback Calculated Property |
| Tboil | 616.02 | K | Relay (1.0) Calculated Property |
| Tc | 909.66 | K | Relay (1.0) Calculated Property |
| Tfus | 422.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.549 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.86; 471.01] | J/mol×K | [817.82; 1065.84] | 
|
| Cp,gas | 428.86 | J/mol×K | 817.82 | Joback Calculated Property |
| Cp,gas | 437.79 | J/mol×K | 859.16 | Joback Calculated Property |
| Cp,gas | 445.89 | J/mol×K | 900.49 | Joback Calculated Property |
| Cp,gas | 453.21 | J/mol×K | 941.83 | Joback Calculated Property |
| Cp,gas | 459.80 | J/mol×K | 983.17 | Joback Calculated Property |
| Cp,gas | 465.72 | J/mol×K | 1024.50 | Joback Calculated Property |
| Cp,gas | 471.01 | J/mol×K | 1065.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(2-cyanoethyl)-4-nitrobenzamide.
Sources
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