- InChI
- InChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3
- InChI Key
- DAIIXVPKQATIMF-UHFFFAOYSA-N
- Formula
- C3H5Cl3
- SMILES
- CC(Cl)(Cl)CCl
- Molecular Weight1
- 147.43
- CAS
- 3175-23-3
- Other Names
-
- 1,2,2-Trichloropropane
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.2476 | Relay (1.0) Calculated Property | |
| ΔfG° | -58.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -197.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.419 | Crippen Calculated Property | |
| McVol | 89.850 | ml/mol | McGowan Calculated Property |
| Pc | 3916.03 | kPa | Joback Calculated Property |
| Inp | [781.00; 781.00] |
|
|
| Inp | 781.00 | NIST | |
| Inp | 781.00 | NIST | |
| Tboil | [395.00; 400.00] | K |
|
| Tboil | 397.20 | K | NIST |
| Tboil | 396.15 ± 2.00 | K | NIST |
| Tboil | 397.15 ± 3.00 | K | NIST |
| Tboil | 395.00 ± 1.50 | K | NIST |
| Tboil | 400.00 ± 3.00 | K | NIST |
| Tc | 620.83 | K | Relay (1.0) Calculated Property |
| Tfus | 209.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.321 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [107.88; 200.38] | 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 | 1.43610e+01 | |||
| Coefficient B | 4.35020e-01 | |||
| Coefficient C | -3.72400e-04 | |||
| Coefficient D | 1.23400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 107.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 127.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 143.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 156.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 167.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 176.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 183.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 190.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 195.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 200.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0066287; 0.0003500] | Pa×s | [215.75; 407.80] |
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 | -1.12616e+01 | |||
| Coefficient B | 1.34742e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 215.75 | |||
| Temperature range, max. | 407.80 | |||
| η | 0.0066287 | Pa×s | 215.75 | Calculated Property |
| η | 0.0037784 | Pa×s | 237.09 | Calculated Property |
| η | 0.0023632 | Pa×s | 258.43 | Calculated Property |
| η | 0.0015878 | Pa×s | 279.77 | Calculated Property |
| η | 0.0011286 | Pa×s | 301.11 | Calculated Property |
| η | 0.0008393 | Pa×s | 322.45 | Calculated Property |
| η | 0.0006476 | Pa×s | 343.79 | Calculated Property |
| η | 0.0005150 | Pa×s | 365.13 | Calculated Property |
| η | 0.0004201 | Pa×s | 386.47 | Calculated Property |
| η | 0.0003500 | Pa×s | 407.80 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [294.42; 422.30] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48633e+01 | |||
| Coefficient B | -3.54394e+03 | |||
| Coefficient C | -5.12800e+01 | |||
| Temperature range, min. | 294.42 | |||
| Temperature range, max. | 422.30 | |||
| Pvap | 1.33 | kPa | 294.42 | Calculated Property |
| Pvap | 2.98 | kPa | 308.63 | Calculated Property |
| Pvap | 6.13 | kPa | 322.84 | Calculated Property |
| Pvap | 11.73 | kPa | 337.05 | Calculated Property |
| Pvap | 21.10 | kPa | 351.26 | Calculated Property |
| Pvap | 36.00 | kPa | 365.46 | Calculated Property |
| Pvap | 58.65 | kPa | 379.67 | Calculated Property |
| Pvap | 91.75 | kPa | 393.88 | Calculated Property |
| Pvap | 138.52 | kPa | 408.09 | Calculated Property |
| Pvap | 202.64 | kPa | 422.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,2,2-trichloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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