- InChI
- InChI=1S/C3H5Cl3/c1-2-3(4,5)6/h2H2,1H3
- InChI Key
- AVGQTJUPLKNPQP-UHFFFAOYSA-N
- Formula
- C3H5Cl3
- SMILES
- CCC(Cl)(Cl)Cl
- Molecular Weight1
- 147.43
- CAS
- 7789-89-1
- Other Names
-
- 1,1,1-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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.2110 | Relay (1.0) Calculated Property | |
| ΔfG° | -58.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -153.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.767 | Crippen Calculated Property | |
| McVol | 89.850 | ml/mol | McGowan Calculated Property |
| Pc | 3916.03 | kPa | Joback Calculated Property |
| Inp | [736.00; 736.00] |
|
|
| Inp | 736.00 | NIST | |
| Inp | 736.00 | NIST | |
| Tboil | [378.00; 420.65] | K |
|
| Tboil | 381.20 | K | NIST |
| Tboil | 378.00 ± 3.00 | K | NIST |
| Tboil | 380.65 ± 3.00 | K | NIST |
| Tboil | 379.65 ± 4.00 | K | NIST |
| Tboil | 420.65 | K | NIST |
| Tboil | 420.65 | K | NIST |
| Tc | 566.76 | K | Relay (1.0) Calculated Property |
| Tfus | 197.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.321 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 38.80 | kJ/mol | 313.00 | NIST |
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 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| 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; 202.63] | kPa | [280.82; 417.68] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39107e+01 | |||
| Coefficient B | -3.19144e+03 | |||
| Coefficient C | -4.65540e+01 | |||
| Temperature range, min. | 280.82 | |||
| Temperature range, max. | 417.68 | |||
| Pvap | 1.33 | kPa | 280.82 | Calculated Property |
| Pvap | 3.06 | kPa | 296.03 | Calculated Property |
| Pvap | 6.38 | kPa | 311.23 | Calculated Property |
| Pvap | 12.28 | kPa | 326.44 | Calculated Property |
| Pvap | 22.10 | kPa | 341.65 | Calculated Property |
| Pvap | 37.55 | kPa | 356.85 | Calculated Property |
| Pvap | 60.71 | kPa | 372.06 | Calculated Property |
| Pvap | 94.04 | kPa | 387.27 | Calculated Property |
| Pvap | 140.33 | kPa | 402.47 | Calculated Property |
| Pvap | 202.63 | kPa | 417.68 | Calculated Property |
| Pvap | [0.13; 100.80] | kPa | [244.40; 381.30] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43993e+01 | |||
| Coefficient B | -3.32054e+03 | |||
| Coefficient C | -4.19920e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 244.40 | |||
| Temperature range, max. | 381.30 | |||
| Pvap | 0.13 | kPa | 244.40 | Calculated Property |
| Pvap | 0.42 | kPa | 259.61 | Calculated Property |
| Pvap | 1.15 | kPa | 274.82 | Calculated Property |
| Pvap | 2.75 | kPa | 290.03 | Calculated Property |
| Pvap | 5.96 | kPa | 305.24 | Calculated Property |
| Pvap | 11.88 | kPa | 320.46 | Calculated Property |
| Pvap | 22.03 | kPa | 335.67 | Calculated Property |
| Pvap | 38.45 | kPa | 350.88 | Calculated Property |
| Pvap | 63.68 | kPa | 366.09 | Calculated Property |
| Pvap | 100.80 | kPa | 381.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,1,1-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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