- InChI
- InChI=1S/C9H12ClNO/c1-7(12)6-11-9-4-2-8(10)3-5-9/h2-5,7,11-12H,6H2,1H3
- InChI Key
- ZJQJJRAOBNZRIF-UHFFFAOYSA-N
- Formula
- C9H12ClNO
- SMILES
- CC(O)CNc1ccc(Cl)cc1
- Molecular Weight1
- 185.65
- CAS
- 72506-83-3
- 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° | 65.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -123.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.68 | kJ/mol | Joback Calculated Property |
| log10WS | -2.38 | Crippen Calculated Property | |
| logPoct/wat | 2.133 | Crippen Calculated Property | |
| McVol | 142.000 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Tboil | 616.32 | K | Joback Calculated Property |
| Tc | 821.27 | K | Joback Calculated Property |
| Tfus | 358.53 | K | Joback Calculated Property |
| Vc | 0.528 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.19; 393.19] | J/mol×K | [616.32; 821.27] | 
|
| Cp,gas | 337.19 | J/mol×K | 616.32 | Joback Calculated Property |
| Cp,gas | 348.10 | J/mol×K | 650.48 | Joback Calculated Property |
| Cp,gas | 358.34 | J/mol×K | 684.64 | Joback Calculated Property |
| Cp,gas | 367.94 | J/mol×K | 718.79 | Joback Calculated Property |
| Cp,gas | 376.93 | J/mol×K | 752.95 | Joback Calculated Property |
| Cp,gas | 385.34 | J/mol×K | 787.11 | Joback Calculated Property |
| Cp,gas | 393.19 | J/mol×K | 821.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(4-Chloroanilino)-2-propanol.
Sources
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