- InChI
- InChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2
- InChI Key
- UTACNSITJSJFHA-UHFFFAOYSA-N
- Formula
- C3H4Cl4
- SMILES
- ClCCC(Cl)(Cl)Cl
- Molecular Weight1
- 181.88
- CAS
- 1070-78-6
- Other Names
-
- 1,1,1,3-Tetrachloropropane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔcH°liquid | -1638.00 ± 1.10 | kJ/mol | NIST |
| ΔfG° | -70.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.96 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -208.70 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 12.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.79 | Crippen Calculated Property | |
| logPoct/wat | 2.986 | Crippen Calculated Property | |
| McVol | 102.090 | ml/mol | McGowan Calculated Property |
| Pc | 3740.80 | kPa | Joback Calculated Property |
| Inp | [921.00; 921.00] |
|
|
| Inp | 921.00 | NIST | |
| Inp | 921.00 | NIST | |
| S°liquid | 284.30 | J/mol×K | NIST |
| Tboil | [430.90; 432.20] | K |
|
| Tboil | 432.20 | K | NIST |
| Tboil | 432.00 ± 2.00 | K | NIST |
| Tboil | 430.90 ± 2.00 | K | NIST |
| Tc | 628.09 | K | Joback Calculated Property |
| Tfus | 245.67 | K | Joback Calculated Property |
| Ttriple | 237.74 ± 0.02 | K | NIST |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.33; 182.59] | J/mol×K | [414.53; 628.09] |
|
| Cp,gas | 152.33 | J/mol×K | 414.53 | Joback Calculated Property |
| Cp,gas | 158.61 | J/mol×K | 450.12 | Joback Calculated Property |
| Cp,gas | 164.34 | J/mol×K | 485.72 | Joback Calculated Property |
| Cp,gas | 169.58 | J/mol×K | 521.31 | Joback Calculated Property |
| Cp,gas | 174.34 | J/mol×K | 556.90 | Joback Calculated Property |
| Cp,gas | 178.66 | J/mol×K | 592.49 | Joback Calculated Property |
| Cp,gas | 182.59 | J/mol×K | 628.09 | Joback Calculated Property |
| Cp,liquid | 196.40 | J/mol×K | 298.15 | NIST |
| η | [0.0004611; 0.0057209] | Pa×s | [245.67; 414.53] |
|
| η | 0.0057209 | Pa×s | 245.67 | Joback Calculated Property |
| η | 0.0030305 | Pa×s | 273.81 | Joback Calculated Property |
| η | 0.0018071 | Pa×s | 301.96 | Joback Calculated Property |
| η | 0.0011770 | Pa×s | 330.10 | Joback Calculated Property |
| η | 0.0008200 | Pa×s | 358.24 | Joback Calculated Property |
| η | 0.0006021 | Pa×s | 386.39 | Joback Calculated Property |
| η | 0.0004611 | Pa×s | 414.53 | Joback Calculated Property |
| ΔfusH | [2.20; 10.49] | kJ/mol | [219.90; 237.70] |
|
| ΔfusH | 2.20 | kJ/mol | 219.90 | NIST |
| ΔfusH | 10.49 | kJ/mol | 237.70 | NIST |
| ΔfusH | 10.49 | kJ/mol | 237.70 | NIST |
| ΔvapH | 57.80 | kJ/mol | 338.50 | NIST |
| ΔfusS | [10.03; 44.13] | J/mol×K | [219.90; 237.70] |
|
| ΔfusS | 10.03 | J/mol×K | 219.90 | NIST |
| ΔfusS | 44.13 | J/mol×K | 237.70 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 353.00 ± 1.00 | K | 7.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [318.72; 460.36] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44427e+01 | |||
| Coefficient B | -3.64398e+03 | |||
| Coefficient C | -6.12880e+01 | |||
| Temperature range, min. | 318.72 | |||
| Temperature range, max. | 460.36 | |||
| Pvap | 1.33 | kPa | 318.72 | Calculated Property |
| Pvap | 3.01 | kPa | 334.46 | Calculated Property |
| Pvap | 6.23 | kPa | 350.20 | Calculated Property |
| Pvap | 11.96 | kPa | 365.93 | Calculated Property |
| Pvap | 21.52 | kPa | 381.67 | Calculated Property |
| Pvap | 36.65 | kPa | 397.41 | Calculated Property |
| Pvap | 59.52 | kPa | 413.15 | Calculated Property |
| Pvap | 92.73 | kPa | 428.88 | Calculated Property |
| Pvap | 139.31 | kPa | 444.62 | Calculated Property |
| Pvap | 202.67 | kPa | 460.36 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,1,1,3-tetrachloro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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