- 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 (1.0) Calculated Property | |
| ΔfG° | -189.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -332.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.41 | Relay (1.0) 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 (1.0) Calculated Property |
| Tc | 667.50 | K | Relay (1.0) Calculated Property |
| Tfus | 249.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.359 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.28; 271.18] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.70610e+01 | |||
| Coefficient B | 5.69920e-01 | |||
| Coefficient C | -4.60400e-04 | |||
| Coefficient D | 1.44600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 141.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 189.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 208.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 223.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 236.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 247.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 256.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 264.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 271.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0398959; 0.0002450] | Pa×s | [272.84; 482.35] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.49463e+01 | |||
| Coefficient B | 3.19899e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 272.84 | |||
| Temperature range, max. | 482.35 | |||
| η | 0.0398959 | Pa×s | 272.84 | Calculated Property |
| η | 0.0158721 | Pa×s | 296.12 | Calculated Property |
| η | 0.0072225 | Pa×s | 319.40 | Calculated Property |
| η | 0.0036577 | Pa×s | 342.68 | Calculated Property |
| η | 0.0020198 | Pa×s | 365.95 | Calculated Property |
| η | 0.0011975 | Pa×s | 389.23 | Calculated Property |
| η | 0.0007531 | Pa×s | 412.51 | Calculated Property |
| η | 0.0004977 | Pa×s | 435.79 | Calculated Property |
| η | 0.0003430 | Pa×s | 459.07 | Calculated Property |
| η | 0.0002450 | Pa×s | 482.35 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanol, 3,3,3-trichloro-2-methyl-.
Sources
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