- InChI
- InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
- InChI Key
- OSASVXMJTNOKOY-UHFFFAOYSA-N
- Formula
- C4H7Cl3O
- SMILES
- CC(C)(O)C(Cl)(Cl)Cl
- Molecular Weight1
- 177.46
- CAS
- 57-15-8
- Other Names
-
- «beta»,«beta»,«beta»-Trichloro-tert-butyl alcohol
- Acetochlorone
- Acetone chloroform
- Chlorobutanol
- Chlorbutanol
- Chlorbutol
- Chloreton
- Chloretone
- Chlortran
- Clortran
- Dentalone
- Khloreton
- Methaform
- Sedaform
- Trichloro-tert-butyl alcohol
- 1,1,1-Trichloro-tert-butyl alcohol
- 2-(Trichloromethyl)-2-propanol
- 2-(Trichloromethyl)propan-2-ol
- 1,1,1-Trichloro-2-methyl-2-propanol
- tert-Trichlorobutyl alcohol
- Acetonchloroform
- HCP
- 2-Propanol, 2-methyl-1,1,1-trichloro-
- Trichloro-tert-butanol
- Trichloro-t-butyl alcohol
- t-Trichlorobutyl alcohol
- 2,2,2-Trichloro-1,1-dimethylethanol
- Coliquifilm
- Trichlorobutanol
- Anhydrous chlorobutanol
- NSC 44794
- 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).
- IE : Ionization energy (eV).
- 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° | -184.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.74 | kJ/mol | Joback Calculated Property |
| IE | 10.38 | eV | NIST |
| log10WS | -2.43 | Crippen Calculated Property | |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 109.810 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback Calculated Property |
| Inp | [949.00; 976.00] |
|
|
| Inp | 976.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 976.00 | NIST | |
| I | [1638.00; 1638.00] |
|
|
| I | 1638.00 | NIST | |
| I | 1638.00 | NIST | |
| Tboil | [440.20; 442.00] | K |
|
| Tboil | 440.20 | K | NIST |
| Tboil | 442.00 ± 4.00 | K | NIST |
| Tc | 694.13 | K | Joback Calculated Property |
| Tfus | 371.90 ± 1.50 | K | NIST |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.55; 242.62] | J/mol×K | [488.93; 694.13] |
|
| Cp,gas | 206.55 | J/mol×K | 488.93 | Joback Calculated Property |
| Cp,gas | 214.08 | J/mol×K | 523.13 | Joback Calculated Property |
| Cp,gas | 220.93 | J/mol×K | 557.33 | Joback Calculated Property |
| Cp,gas | 227.15 | J/mol×K | 591.53 | Joback Calculated Property |
| Cp,gas | 232.81 | J/mol×K | 625.73 | Joback Calculated Property |
| Cp,gas | 237.95 | J/mol×K | 659.93 | Joback Calculated Property |
| Cp,gas | 242.62 | J/mol×K | 694.13 | Joback Calculated Property |
| η | [0.0002274; 0.0266028] | Pa×s | [290.26; 488.93] |
|
| η | 0.0266028 | Pa×s | 290.26 | Joback Calculated Property |
| η | 0.0080124 | Pa×s | 323.37 | Joback Calculated Property |
| η | 0.0030159 | Pa×s | 356.48 | Joback Calculated Property |
| η | 0.0013403 | Pa×s | 389.60 | Joback Calculated Property |
| η | 0.0006763 | Pa×s | 422.71 | Joback Calculated Property |
| η | 0.0003769 | Pa×s | 455.82 | Joback Calculated Property |
| η | 0.0002274 | Pa×s | 488.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanol, 1,1,1-trichloro-2-methyl-.
Sources
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