- InChI
- InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3
- InChI Key
- GRSQYISVQKPZCW-UHFFFAOYSA-N
- Formula
- C3H5Cl3
- SMILES
- CC(Cl)C(Cl)Cl
- Molecular Weight1
- 147.43
- CAS
- 598-77-6
- Other Names
-
- 1,1,2-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 | 0.2744 | Relay (1.0) Calculated Property | |
| ΔfG° | -66.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -188.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.417 | Crippen Calculated Property | |
| McVol | 89.850 | ml/mol | McGowan Calculated Property |
| Pc | 3901.37 | kPa | Joback Calculated Property |
| Inp | 827.00 | NIST | |
| Tboil | [404.65; 413.15] | K |
|
| Tboil | 405.15 ± 1.50 | K | NIST |
| Tboil | 406.65 ± 2.50 | K | NIST |
| Tboil | 404.65 ± 2.00 | K | NIST |
| Tboil | 409.15 ± 2.00 | K | NIST |
| Tboil | 405.15 ± 2.00 | K | NIST |
| Tboil | 413.15 ± 6.00 | K | NIST |
| Tc | 610.71 | K | Relay (1.0) Calculated Property |
| Tfus | 221.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.325 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [108.71; 199.99] | 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 | 3.54700e+01 | |||
| Coefficient B | 3.21020e-01 | |||
| Coefficient C | -2.07000e-04 | |||
| Coefficient D | 5.05000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 108.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 125.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 140.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 152.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 163.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 173.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 181.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 188.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 194.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 199.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0106159; 0.0003073] | Pa×s | [183.33; 406.66] |
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 | -1.09956e+01 | |||
| Coefficient B | 1.18252e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 183.33 | |||
| Temperature range, max. | 406.66 | |||
| η | 0.0106159 | Pa×s | 183.33 | Calculated Property |
| η | 0.0049203 | Pa×s | 208.14 | Calculated Property |
| η | 0.0026864 | Pa×s | 232.96 | Calculated Property |
| η | 0.0016480 | Pa×s | 257.77 | Calculated Property |
| η | 0.0011016 | Pa×s | 282.59 | Calculated Property |
| η | 0.0007858 | Pa×s | 307.40 | Calculated Property |
| η | 0.0005896 | Pa×s | 332.22 | Calculated Property |
| η | 0.0004603 | Pa×s | 357.03 | Calculated Property |
| η | 0.0003712 | Pa×s | 381.84 | Calculated Property |
| η | 0.0003073 | Pa×s | 406.66 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [301.62; 432.79] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48036e+01 | |||
| Coefficient B | -3.59762e+03 | |||
| Coefficient C | -5.37820e+01 | |||
| Temperature range, min. | 301.62 | |||
| Temperature range, max. | 432.79 | |||
| Pvap | 1.33 | kPa | 301.62 | Calculated Property |
| Pvap | 2.99 | kPa | 316.19 | Calculated Property |
| Pvap | 6.14 | kPa | 330.77 | Calculated Property |
| Pvap | 11.76 | kPa | 345.34 | Calculated Property |
| Pvap | 21.16 | kPa | 359.92 | Calculated Property |
| Pvap | 36.09 | kPa | 374.49 | Calculated Property |
| Pvap | 58.76 | kPa | 389.07 | Calculated Property |
| Pvap | 91.88 | kPa | 403.64 | Calculated Property |
| Pvap | 138.63 | kPa | 418.22 | Calculated Property |
| Pvap | 202.63 | kPa | 432.79 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,1,2-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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