- InChI
- InChI=1S/C3H4Cl4/c1-2(4)3(5,6)7/h2H,1H3
- InChI Key
- FEKGWIHDBVDVSM-UHFFFAOYSA-N
- Formula
- C3H4Cl4
- SMILES
- CC(Cl)C(Cl)(Cl)Cl
- Molecular Weight1
- 181.88
- CAS
- 812-03-3
- Other Names
-
- 1,1,1,2-Tetrachloropropane
- CH3CHClCCl3
- 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 | 0.2443 | Relay (1.0) Calculated Property | |
| ΔfG° | -72.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.96 | 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 |
| Inp | [903.00; 918.00] |
|
|
| Inp | 903.00 | NIST | |
| Inp | 918.00 | NIST | |
| Tboil | 418.83 | K | Relay (1.0) Calculated Property |
| Tc | 622.52 | K | Relay (1.0) Calculated Property |
| Tfus | 209.00 ± 4.00 | K | NIST |
| Vc | 0.352 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.43; 183.76] | J/mol×K | [414.09; 633.01] |
|
| Cp,gas | 152.43 | J/mol×K | 414.09 | Joback Calculated Property |
| Cp,gas | 158.97 | J/mol×K | 450.58 | Joback Calculated Property |
| Cp,gas | 164.94 | J/mol×K | 487.06 | Joback Calculated Property |
| Cp,gas | 170.36 | J/mol×K | 523.55 | Joback Calculated Property |
| Cp,gas | 175.28 | J/mol×K | 560.04 | Joback Calculated Property |
| Cp,gas | 179.73 | J/mol×K | 596.53 | Joback Calculated Property |
| Cp,gas | 183.76 | J/mol×K | 633.01 | Joback Calculated Property |
| η | [0.0004436; 0.0088117] | Pa×s | [230.67; 414.09] |
|
| η | 0.0088117 | Pa×s | 230.67 | Joback Calculated Property |
| η | 0.0040006 | Pa×s | 261.24 | Joback Calculated Property |
| η | 0.0021431 | Pa×s | 291.81 | Joback Calculated Property |
| η | 0.0012923 | Pa×s | 322.38 | Joback Calculated Property |
| η | 0.0008506 | Pa×s | 352.95 | Joback Calculated Property |
| η | 0.0005985 | Pa×s | 383.52 | Joback Calculated Property |
| η | 0.0004436 | Pa×s | 414.09 | Joback Calculated Property |
| ΔvapH | 42.30 | kJ/mol | 400.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [309.90; 478.48] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.26725e+01 | |||
| Coefficient B | -3.05911e+03 | |||
| Coefficient C | -6.28950e+01 | |||
| Temperature range, min. | 309.90 | |||
| Temperature range, max. | 478.48 | |||
| Pvap | 1.33 | kPa | 309.90 | Calculated Property |
| Pvap | 3.19 | kPa | 328.63 | Calculated Property |
| Pvap | 6.81 | kPa | 347.36 | Calculated Property |
| Pvap | 13.24 | kPa | 366.09 | Calculated Property |
| Pvap | 23.81 | kPa | 384.82 | Calculated Property |
| Pvap | 40.15 | kPa | 403.56 | Calculated Property |
| Pvap | 64.11 | kPa | 422.29 | Calculated Property |
| Pvap | 97.73 | kPa | 441.02 | Calculated Property |
| Pvap | 143.18 | kPa | 459.75 | Calculated Property |
| Pvap | 202.66 | kPa | 478.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,1,1,2-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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