- InChI
- InChI=1S/C3H5Cl3O/c1-2(7)3(4,5)6/h2,7H,1H3
- InChI Key
- HCMBPASAOZIEDZ-UHFFFAOYSA-N
- Formula
- C3H5Cl3O
- SMILES
- CC(O)C(Cl)(Cl)Cl
- Molecular Weight1
- 163.43
- CAS
- 76-00-6
- Other Names
-
- Isopral
- Trichloro-2-propanol
- 1,1,1-Trichloro-2-propanol
- 1,1,1-Trichloroisopropyl alcohol
- 2,2,2-Trichloro-1-methylethanol
- Trichloroisopropanol
- 1,1,1-trichloropropan-2-ol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- I : 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° | -197.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -318.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.02 | Crippen Calculated Property | |
| logPoct/wat | 1.737 | Crippen Calculated Property | |
| McVol | 95.720 | ml/mol | McGowan Calculated Property |
| Pc | 4456.32 | kPa | Joback Calculated Property |
| Inp | [912.00; 920.00] |
|
|
| Inp | 912.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 920.00 | NIST | |
| I | [1650.00; 1650.00] |
|
|
| I | 1650.00 | NIST | |
| I | 1650.00 | NIST | |
| Tboil | 468.84 | K | Joback Calculated Property |
| Tc | 668.42 | K | Joback Calculated Property |
| Tfus | 321.00 ± 5.00 | K | NIST |
| Vc | 0.352 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.06; 193.65] | J/mol×K | [468.84; 668.42] |
|
| Cp,gas | 165.06 | J/mol×K | 468.84 | Joback Calculated Property |
| Cp,gas | 170.87 | J/mol×K | 502.10 | Joback Calculated Property |
| Cp,gas | 176.22 | J/mol×K | 535.37 | Joback Calculated Property |
| Cp,gas | 181.15 | J/mol×K | 568.63 | Joback Calculated Property |
| Cp,gas | 185.67 | J/mol×K | 601.90 | Joback Calculated Property |
| Cp,gas | 189.83 | J/mol×K | 635.16 | Joback Calculated Property |
| Cp,gas | 193.65 | J/mol×K | 668.42 | Joback Calculated Property |
| η | [0.0002727; 0.0518380] | Pa×s | [261.57; 468.84] |
|
| η | 0.0518380 | Pa×s | 261.57 | Joback Calculated Property |
| η | 0.0129794 | Pa×s | 296.12 | Joback Calculated Property |
| η | 0.0043403 | Pa×s | 330.66 | Joback Calculated Property |
| η | 0.0017856 | Pa×s | 365.21 | Joback Calculated Property |
| η | 0.0008565 | Pa×s | 399.75 | Joback Calculated Property |
| η | 0.0004618 | Pa×s | 434.30 | Joback Calculated Property |
| η | 0.0002727 | Pa×s | 468.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanol, 1,1,1-trichloro-.
Sources
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