- InChI
- InChI=1S/C6H6ClNO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H,8H2
- InChI Key
- QUIIUKFPLUUSGQ-UHFFFAOYSA-N
- Formula
- C6H6ClNO
- SMILES
- Nc1cccc(Cl)c1O
- Molecular Weight1
- 143.57
- 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).
- Inp : Non-polar retention indices.
- 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° | 2.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.93 | kJ/mol | Joback Calculated Property |
| log10WS | -1.34 | Crippen Calculated Property | |
| logPoct/wat | 1.628 | Crippen Calculated Property | |
| McVol | 99.730 | ml/mol | McGowan Calculated Property |
| Pc | 5836.07 | kPa | Joback Calculated Property |
| Inp | [1415.00; 1415.00] |
|
|
| Inp | 1415.00 | NIST | |
| Inp | 1415.00 | NIST | |
| Tboil | 558.92 | K | Joback Calculated Property |
| Tc | 810.11 | K | Joback Calculated Property |
| Tfus | 421.22 | K | Joback Calculated Property |
| Vc | 0.307 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.45; 250.45] | J/mol×K | [558.92; 810.11] |
|
| Cp,gas | 210.45 | J/mol×K | 558.92 | Joback Calculated Property |
| Cp,gas | 218.57 | J/mol×K | 600.79 | Joback Calculated Property |
| Cp,gas | 225.98 | J/mol×K | 642.65 | Joback Calculated Property |
| Cp,gas | 232.78 | J/mol×K | 684.52 | Joback Calculated Property |
| Cp,gas | 239.06 | J/mol×K | 726.38 | Joback Calculated Property |
| Cp,gas | 244.92 | J/mol×K | 768.25 | Joback Calculated Property |
| Cp,gas | 250.45 | J/mol×K | 810.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-amino-6-chloro-.
Sources
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