- InChI
- InChI=1S/C8H7ClN2O2/c9-6-3-1-2-4-7(6)11-8(12)5-10-13/h1-5,13H,(H,11,12)/b10-5+
- InChI Key
- VFTUFVGOXLZZPW-BJMVGYQFSA-N
- Formula
- C8H7ClN2O2
- SMILES
- O=C(C=NO)Nc1ccccc1Cl
- Molecular Weight1
- 198.61
- CAS
- 14722-82-8
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 0.7400 | Relay (... Calculated Property | |
| ΔfG° | 126.50 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -114.09 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 87.55 | kJ/mol | Relay (... Calculated Property |
| IE | 8.68 | eV | Relay (... Calculated Property |
| log10WS | -2.23 | Relay (... Calculated Property | |
| logPoct/wat | 1.738 | Crippen Calculated Property | |
| McVol | 135.160 | ml/mol | McGowan Calculated Property |
| Pc | 3699.95 | kPa | Joback Calculated Property |
| Tboil | 568.05 | K | Relay (... Calculated Property |
| Tc | 889.87 | K | Relay (... Calculated Property |
| Tfus | 429.00 ± 1.00 | K | NIST |
| Vc | 0.467 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [29.70; 29.70] | kJ/mol | [429.00; 432.70] | 
|
| ΔfusH | 29.70 | kJ/mol | 429.00 | NIST |
| ΔfusH | 29.70 | kJ/mol | 432.70 | NIST |
| ΔfusS | 69.30 | J/mol×K | 429.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Chloroisonitrosoacetanilide.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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