- InChI
- InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H
- InChI Key
- BNIXVQGCZULYKV-UHFFFAOYSA-N
- Formula
- C2HCl5
- SMILES
- ClC(Cl)C(Cl)(Cl)Cl
- Molecular Weight1
- 202.29
- CAS
- 76-01-7
- Other Names
-
- 1,1,1,2,2-pentachloroethane
- CHCl2CCl3
- ETHANEPENTACHLORIDE
- Ethane pentachloride
- Ethane, 1,1,1,2,2-pentachloro-
- NCI-C53894
- Pentachloorethaan
- Pentachloraethan
- Pentachlorethane
- Pentacloroetano
- Pentalin
- Pentaline
- R-120
- Rcra waste number U184
- UN 1669
- freon 120
- pentachloroethane
- 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).
- μ : Dipole Moment (debye).
- 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).
- 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -862.30 ± 8.40 | kJ/mol | NIST |
| μ | 1.00 | debye | KDB |
| ΔfG° | -66.70 | kJ/mol | KDB |
| ΔfH°gas | [-155.90; -142.40] | kJ/mol |
|
| ΔfH°gas | -142.40 | kJ/mol | KDB |
| ΔfH°gas | -155.90 ± 4.30 | kJ/mol | NIST |
| ΔfH°gas | -145.00 | kJ/mol | NIST |
| ΔfH°liquid | [-203.00; -191.00] | kJ/mol |
|
| ΔfH°liquid | -203.00 ± 4.00 | kJ/mol | NIST |
| ΔfH°liquid | -191.00 | kJ/mol | NIST |
| ΔfusH° | 10.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.40 ± 1.50 | kJ/mol | NIST |
| IE | [11.00; 11.28] | eV |
|
| IE | 11.00 | eV | NIST |
| IE | 11.28 | eV | NIST |
| log10WS | [-2.60; -2.60] |
|
|
| log10WS | -2.60 | Aq. Solubility Prediction | |
| log10WS | -2.60 | Estimated Solubility | |
| logPoct/wat | 3.160 | Crippen Calculated Property | |
| McVol | 100.240 | ml/mol | McGowan Calculated Property |
| Pc | 3480.00 | kPa | KDB |
| Inp | [950.00; 978.00] |
|
|
| Inp | 965.00 | NIST | |
| Inp | Outlier 978.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 963.20 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 965.00 | NIST | |
| I | [1431.59; 1454.62] |
|
|
| I | 1454.62 | NIST | |
| I | 1431.59 | NIST | |
| I | 1454.62 | NIST | |
| Tboil | [434.65; 435.20] | K |
|
| Tboil | 435.00 | K | KDB |
| Tboil | 435.20 | K | NIST |
| Tboil | 435.00 ± 1.00 | K | NIST |
| Tboil | 434.65 ± 1.00 | K | NIST |
| Tboil | 435.10 ± 0.50 | K | NIST |
| Tc | 646.00 | K | KDB |
| Tfus | [243.50; 244.22] | K |
|
| Tfus | 244.00 | K | KDB |
| Tfus | 244.22 | K | Aq. Solubility Prediction |
| Tfus | 243.50 ± 1.00 | K | NIST |
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Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.11; 155.95] | J/mol×K | [428.64; 658.19] |
|
| Cp,gas | 137.11 | J/mol×K | 428.64 | Joback Calculated Property |
| Cp,gas | 141.44 | J/mol×K | 466.90 | Joback Calculated Property |
| Cp,gas | 145.23 | J/mol×K | 505.16 | Joback Calculated Property |
| Cp,gas | 148.53 | J/mol×K | 543.42 | Joback Calculated Property |
| Cp,gas | 151.39 | J/mol×K | 581.67 | Joback Calculated Property |
| Cp,gas | 153.85 | J/mol×K | 619.93 | Joback Calculated Property |
| Cp,gas | 155.95 | J/mol×K | 658.19 | Joback Calculated Property |
| Cp,liquid | [196.20; 218.00] | J/mol×K | [298.00; 360.00] |
|
| Cp,liquid | 196.20 | J/mol×K | 298.00 | NIST |
| Cp,liquid | 218.00 | J/mol×K | 300.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 218.00 | J/mol×K | 320.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 218.00 | J/mol×K | 340.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 218.00 | J/mol×K | 360.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| η | [0.0004728; 0.0073315] | Pa×s | [249.32; 428.64] |
|
| η | 0.0073315 | Pa×s | 249.32 | Joback Calculated Property |
| η | 0.0036356 | Pa×s | 279.21 | Joback Calculated Property |
| η | 0.0020647 | Pa×s | 309.09 | Joback Calculated Property |
| η | 0.0012956 | Pa×s | 338.98 | Joback Calculated Property |
| η | 0.0008768 | Pa×s | 368.87 | Joback Calculated Property |
| η | 0.0006291 | Pa×s | 398.75 | Joback Calculated Property |
| η | 0.0004728 | Pa×s | 428.64 | Joback Calculated Property |
| ΔvapH | [40.90; 45.50] | kJ/mol | [354.00; 433.50] |
|
| ΔvapH | 40.90 | kJ/mol | 354.00 | NIST |
| ΔvapH | 45.50 | kJ/mol | 366.50 | NIST |
| ΔvapH | 41.00 | kJ/mol | 433.50 | KDB |
| ρl | 1671.00 | kg/m3 | 298.00 | KDB |
| γ | 0.03 | N/m | 298.20 | KDB |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 342.20 | K | 4.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [315.72; 465.68] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37664e+01 | |||
| Coefficient B | -3.40174e+03 | |||
| Coefficient C | -6.33480e+01 | |||
| Temperature range, min. | 315.72 | |||
| Temperature range, max. | 465.68 | |||
| Pvap | 1.33 | kPa | 315.72 | Calculated Property |
| Pvap | 3.07 | kPa | 332.38 | Calculated Property |
| Pvap | 6.42 | kPa | 349.04 | Calculated Property |
| Pvap | 12.38 | kPa | 365.71 | Calculated Property |
| Pvap | 22.27 | kPa | 382.37 | Calculated Property |
| Pvap | 37.81 | kPa | 399.03 | Calculated Property |
| Pvap | 61.06 | kPa | 415.69 | Calculated Property |
| Pvap | 94.43 | kPa | 432.36 | Calculated Property |
| Pvap | 140.62 | kPa | 449.02 | Calculated Property |
| Pvap | 202.63 | kPa | 465.68 | Calculated Property |
| Pvap | [6.96e-03; 3773.77] | kPa | [244.15; 665.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.06041e+02 | |||
| Coefficient B | -9.09687e+03 | |||
| Coefficient C | -1.35036e+01 | |||
| Coefficient D | 8.24216e-06 | |||
| Temperature range, min. | 244.15 | |||
| Temperature range, max. | 665.00 | |||
| Pvap | 6.96e-03 | kPa | 244.15 | Calculated Property |
| Pvap | 0.32 | kPa | 290.91 | Calculated Property |
| Pvap | 4.14 | kPa | 337.67 | Calculated Property |
| Pvap | 25.17 | kPa | 384.43 | Calculated Property |
| Pvap | 95.21 | kPa | 431.19 | Calculated Property |
| Pvap | 265.14 | kPa | 477.96 | Calculated Property |
| Pvap | 603.29 | kPa | 524.72 | Calculated Property |
| Pvap | 1200.75 | kPa | 571.48 | Calculated Property |
| Pvap | 2188.93 | kPa | 618.24 | Calculated Property |
| Pvap | 3773.77 | kPa | 665.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethane, pentachloro-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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