- InChI
- InChI=1S/C5H8Cl4/c6-1-5(2-7,3-8)4-9/h1-4H2
- InChI Key
- KPZGRMZPZLOPBS-UHFFFAOYSA-N
- Formula
- C5H8Cl4
- SMILES
- ClCC(CCl)(CCl)CCl
- Molecular Weight1
- 209.93
- CAS
- 3228-99-7
- Other Names
-
- 1,3-Dichloro-2,2-bis(chloromethyl) propane
- 2,2-Bis(chloromethyl)-1,3-dichloropropane
- Methane, tetrakis(chloromethyl)-
- Pentaerythritol tetrachloride
- Propane, 1,3-dichloro-2,2-bis(chloromethyl)-
- Tetrakis(chloromethyl)methane
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- Csat : Molar heat capacity at saturation pressure (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Pvap : Vapor pressure (kPa).
- S°solid,1 bar : Solid 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -198.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.928 | Crippen Calculated Property | |
| McVol | 130.270 | ml/mol | McGowan Calculated Property |
| S°solid,1 bar | [240.62; 257.48] | J/mol×K |
|
| S°solid,1 bar | 240.62 | J/mol×K | NIST |
| S°solid,1 bar | 257.48 | J/mol×K | NIST |
| S°solid,1 bar | 257.48 | J/mol×K | NIST |
| Tboil | 501.08 | K | Relay (1.0) Calculated Property |
| Tc | 722.50 | K | Relay (1.0) Calculated Property |
| Tfus | 365.18 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.26; 270.35] | J/mol×K | [460.49; 668.83] |
|
| Cp,gas | 225.26 | J/mol×K | 460.49 | Joback Calculated Property |
| Cp,gas | 234.27 | J/mol×K | 495.21 | Joback Calculated Property |
| Cp,gas | 242.63 | J/mol×K | 529.94 | Joback Calculated Property |
| Cp,gas | 250.38 | J/mol×K | 564.66 | Joback Calculated Property |
| Cp,gas | 257.55 | J/mol×K | 599.38 | Joback Calculated Property |
| Cp,gas | 264.20 | J/mol×K | 634.11 | Joback Calculated Property |
| Cp,gas | 270.35 | J/mol×K | 668.83 | Joback Calculated Property |
| Cp,solid | [186.94; 198.49] | J/mol×K | [298.15; 298.15] |
|
| Cp,solid | 186.94 | J/mol×K | 298.15 | NIST |
| Cp,solid | 198.49 | J/mol×K | 298.15 | NIST |
| Cp,solid | 198.49 | J/mol×K | 298.15 | NIST |
| Csat | [274.10; 283.60] | J/mol×K | [370.00; 400.00] |
|
| Csat | 274.10 | J/mol×K | 370.00 | 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 |
| Csat | 277.20 | J/mol×K | 380.00 | 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 |
| Csat | 280.40 | J/mol×K | 390.00 | 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 |
| Csat | 283.60 | J/mol×K | 400.00 | 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 | [0.0003733; 0.0053237] | Pa×s | [268.21; 460.49] |
|
| η | 0.0053237 | Pa×s | 268.21 | Joback Calculated Property |
| η | 0.0026990 | Pa×s | 300.26 | Joback Calculated Property |
| η | 0.0015598 | Pa×s | 332.30 | Joback Calculated Property |
| η | 0.0009928 | Pa×s | 364.35 | Joback Calculated Property |
| η | 0.0006798 | Pa×s | 396.40 | Joback Calculated Property |
| η | 0.0004926 | Pa×s | 428.44 | Joback Calculated Property |
| η | 0.0003733 | Pa×s | 460.49 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 383.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [364.01; 513.96] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49623e+01 | |||
| Coefficient B | -4.22683e+03 | |||
| Coefficient C | -7.59800e+01 | |||
| Temperature range, min. | 364.01 | |||
| Temperature range, max. | 513.96 | |||
| Pvap | 1.33 | kPa | 364.01 | Calculated Property |
| Pvap | 2.97 | kPa | 380.67 | Calculated Property |
| Pvap | 6.10 | kPa | 397.33 | Calculated Property |
| Pvap | 11.67 | kPa | 413.99 | Calculated Property |
| Pvap | 21.01 | kPa | 430.65 | Calculated Property |
| Pvap | 35.86 | kPa | 447.32 | Calculated Property |
| Pvap | 58.46 | kPa | 463.98 | Calculated Property |
| Pvap | 91.55 | kPa | 480.64 | Calculated Property |
| Pvap | 138.37 | kPa | 497.30 | Calculated Property |
| Pvap | 202.67 | kPa | 513.96 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dichloro-2,2-bis(chloromethyl)propane.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback 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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