- InChI
- InChI=1S/C3H4Cl4/c1-3(6,7)2(4)5/h2H,1H3
- InChI Key
- MDCBRXYTSHYYJE-UHFFFAOYSA-N
- Formula
- C3H4Cl4
- SMILES
- CC(Cl)(Cl)C(Cl)Cl
- Molecular Weight1
- 181.88
- CAS
- 13116-60-4
- Other Names
-
- 1,1,2,2-Tetrachloropropane
- 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).
- 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 | 0.2605 | Relay (1.0) Calculated Property | |
| ΔfG° | -72.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.984 | Crippen Calculated Property | |
| McVol | 102.090 | ml/mol | McGowan Calculated Property |
| Pc | 3777.68 | kPa | Joback Calculated Property |
| Tboil | 426.15 ± 1.50 | K | NIST |
| Tc | 655.75 | K | Relay (1.0) Calculated Property |
| Tfus | 254.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.363 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.97; 209.19] | 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 | 2.55700e+01 | |||
| Coefficient B | 4.47720e-01 | |||
| Coefficient C | -3.96000e-04 | |||
| Coefficient D | 1.31900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 120.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 140.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 156.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 169.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 179.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 188.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 194.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 200.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 204.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 209.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0088117; 0.0003462] | Pa×s | [230.67; 443.32] |
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 | -1.14797e+01 | |||
| Coefficient B | 1.55656e+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. | 230.67 | |||
| Temperature range, max. | 443.32 | |||
| η | 0.0088117 | Pa×s | 230.67 | Calculated Property |
| η | 0.0047072 | Pa×s | 254.30 | Calculated Property |
| η | 0.0027974 | Pa×s | 277.93 | Calculated Property |
| η | 0.0018037 | Pa×s | 301.55 | Calculated Property |
| η | 0.0012396 | Pa×s | 325.18 | Calculated Property |
| η | 0.0008963 | Pa×s | 348.81 | Calculated Property |
| η | 0.0006753 | Pa×s | 372.44 | Calculated Property |
| η | 0.0005263 | Pa×s | 396.07 | Calculated Property |
| η | 0.0004218 | Pa×s | 419.70 | Calculated Property |
| η | 0.0003462 | Pa×s | 443.32 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 215.83] | kPa | [315.52; 456.10] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46141e+01 | |||
| Coefficient B | -3.65818e+03 | |||
| Coefficient C | -6.01760e+01 | |||
| Temperature range, min. | 315.52 | |||
| Temperature range, max. | 456.10 | |||
| Pvap | 1.33 | kPa | 315.52 | Calculated Property |
| Pvap | 3.04 | kPa | 331.14 | Calculated Property |
| Pvap | 6.36 | kPa | 346.76 | Calculated Property |
| Pvap | 12.29 | kPa | 362.38 | Calculated Property |
| Pvap | 22.29 | kPa | 378.00 | Calculated Property |
| Pvap | 38.21 | kPa | 393.62 | Calculated Property |
| Pvap | 62.43 | kPa | 409.24 | Calculated Property |
| Pvap | 97.81 | kPa | 424.86 | Calculated Property |
| Pvap | 147.67 | kPa | 440.48 | Calculated Property |
| Pvap | 215.83 | kPa | 456.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,1,2,2-tetrachloro-.
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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