- InChI
- InChI=1S/C8H8ClNO3/c1-2-13-8-4-3-6(9)5-7(8)10(11)12/h3-5H,2H2,1H3
- InChI Key
- SKMDJPLCXWZTCN-UHFFFAOYSA-N
- Formula
- C8H8ClNO3
- SMILES
- CCOc1ccc(Cl)cc1[N+](=O)[O-]
- Molecular Weight1
- 201.61
- CAS
- 102236-24-8
- Other Names
-
- Benzene, 4-chloro-1-ethoxy-2-nitro
- 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° | 28.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -153.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.35 | Crippen Calculated Property | |
| logPoct/wat | 2.647 | Crippen Calculated Property | |
| McVol | 135.350 | ml/mol | McGowan Calculated Property |
| Pc | 3352.86 | kPa | Joback Calculated Property |
| Tboil | 630.77 | K | Joback Calculated Property |
| Tc | 875.97 | K | Joback Calculated Property |
| Tfus | 427.14 | K | Joback Calculated Property |
| Vc | 0.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.81; 362.83] | J/mol×K | [630.77; 875.97] | 
|
| Cp,gas | 308.81 | J/mol×K | 630.77 | Joback Calculated Property |
| Cp,gas | 319.68 | J/mol×K | 671.64 | Joback Calculated Property |
| Cp,gas | 329.78 | J/mol×K | 712.50 | Joback Calculated Property |
| Cp,gas | 339.13 | J/mol×K | 753.37 | Joback Calculated Property |
| Cp,gas | 347.75 | J/mol×K | 794.23 | Joback Calculated Property |
| Cp,gas | 355.64 | J/mol×K | 835.10 | Joback Calculated Property |
| Cp,gas | 362.83 | J/mol×K | 875.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenetole, 4-chloro-2-nitro.
Sources
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