- InChI
- InChI=1S/C10H12N2O3/c1-2-15-9-5-3-8(4-6-9)12-10(13)7-11-14/h3-7,14H,2H2,1H3,(H,12,13)/b11-7+
- InChI Key
- LCSKYCHMODBOPE-YRNVUSSQSA-N
- Formula
- C10H12N2O3
- SMILES
- CCOc1ccc(NC(=O)C=NO)cc1
- Molecular Weight1
- 208.21
- CAS
- 17122-74-6
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -286.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.38 | kJ/mol | Joback Calculated Property |
| log10WS | -1.03 | Crippen Calculated Property | |
| logPoct/wat | 1.484 | Crippen Calculated Property | |
| McVol | 156.970 | ml/mol | McGowan Calculated Property |
| Pc | 3032.27 | kPa | Joback Calculated Property |
| Tboil | 755.18 | K | Joback Calculated Property |
| Tc | 967.92 | K | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [7.60; 7.60] | kJ/mol | [490.00; 491.20] | 
|
| ΔfusH | 7.60 | kJ/mol | 490.00 | NIST |
| ΔfusH | 7.60 | kJ/mol | 490.00 | NIST |
| ΔfusH | 7.60 | kJ/mol | 491.20 | NIST |
| ΔfusS | 15.50 | J/mol×K | 490.00 | NIST |
Similar Compounds
Find more compounds similar to 4-Ethoxyisonitrosoacetanilide.
Sources
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