- InChI
- InChI=1S/C4H7Cl3O/c1-3(2-8)4(5,6)7/h3,8H,2H2,1H3
- InChI Key
- JQQYPQBEPCDDEG-UHFFFAOYSA-N
- Formula
- C4H7Cl3O
- SMILES
- CC(CO)C(Cl)(Cl)Cl
- Molecular Weight1
- 177.46
- CAS
- 29903-32-0
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5018 | Relay (... Calculated Property | |
| ΔfG° | -189.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -332.38 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 11.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.00 | kJ/mol | Relay (... Calculated Property |
| IE | 10.25 | eV | Relay (... Calculated Property |
| log10WS | -1.41 | Relay (... Calculated Property | |
| logPoct/wat | 1.985 | Crippen Calculated Property | |
| McVol | 109.810 | ml/mol | McGowan Calculated Property |
| Pc | 3935.71 | kPa | Joback Calculated Property |
| Tboil | 475.52 | K | Relay (... Calculated Property |
| Tc | 669.37 | K | Relay (... Calculated Property |
| Tfus | 247.43 | K | Relay (... Calculated Property |
| Vc | 0.363 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.17; 238.44] | J/mol×K | [491.72; 688.79] | 
|
| Cp,gas | 203.17 | J/mol×K | 491.72 | Joback Calculated Property |
| Cp,gas | 210.21 | J/mol×K | 524.56 | Joback Calculated Property |
| Cp,gas | 216.73 | J/mol×K | 557.41 | Joback Calculated Property |
| Cp,gas | 222.79 | J/mol×K | 590.25 | Joback Calculated Property |
| Cp,gas | 228.41 | J/mol×K | 623.10 | Joback Calculated Property |
| Cp,gas | 233.61 | J/mol×K | 655.94 | Joback Calculated Property |
| Cp,gas | 238.44 | J/mol×K | 688.79 | Joback Calculated Property |
| η | [0.0002159; 0.0398959] | Pa×s | [272.84; 491.72] |
|
| η | 0.0398959 | Pa×s | 272.84 | Joback Calculated Property |
| η | 0.0100091 | Pa×s | 309.32 | Joback Calculated Property |
| η | 0.0033618 | Pa×s | 345.80 | Joback Calculated Property |
| η | 0.0013905 | Pa×s | 382.28 | Joback Calculated Property |
| η | 0.0006708 | Pa×s | 418.76 | Joback Calculated Property |
| η | 0.0003637 | Pa×s | 455.24 | Joback Calculated Property |
| η | 0.0002159 | Pa×s | 491.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanol, 3,3,3-trichloro-2-methyl-.
Sources
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