- 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 |
|---|---|---|---|---|
| ΔvapH | 42.30 | kJ/mol | 400.00 | NIST |
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 | [0.0177386; 0.0003462] | Pa×s | [209.00; 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 | |||
| Temperature range, min. | 209.00 | |||
| Temperature range, max. | 443.32 | |||
| η | 0.0177386 | Pa×s | 209.00 | Calculated Property |
| η | 0.0077736 | Pa×s | 235.04 | Calculated Property |
| η | 0.0040159 | Pa×s | 261.07 | Calculated Property |
| η | 0.0023387 | Pa×s | 287.11 | Calculated Property |
| η | 0.0014901 | Pa×s | 313.14 | Calculated Property |
| η | 0.0010174 | Pa×s | 339.18 | Calculated Property |
| η | 0.0007335 | Pa×s | 365.22 | Calculated Property |
| η | 0.0005524 | Pa×s | 391.25 | Calculated Property |
| η | 0.0004310 | Pa×s | 417.29 | Calculated Property |
| η | 0.0003462 | Pa×s | 443.32 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [309.90; 478.48] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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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