- 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).
- 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).
- 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).
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -53.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -218.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 2.928 | Crippen Calculated Property | |
| McVol | 130.270 | ml/mol | McGowan Calculated Property |
| Pc | 2995.87 | kPa | Joback 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 | 460.29 | K | Joback Calculated Property |
| Tc | 668.54 | K | Joback Calculated Property |
| Tfus | 268.21 | K | Joback Calculated Property |
| Vc | 0.500 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.21; 270.30] | J/mol×K | [460.29; 668.54] |
|
| Cp,gas | 225.21 | J/mol×K | 460.29 | Joback Calculated Property |
| Cp,gas | 234.22 | J/mol×K | 495.00 | Joback Calculated Property |
| Cp,gas | 242.58 | J/mol×K | 529.71 | Joback Calculated Property |
| Cp,gas | 250.32 | J/mol×K | 564.42 | Joback Calculated Property |
| Cp,gas | 257.50 | J/mol×K | 599.12 | Joback Calculated Property |
| Cp,gas | 264.15 | J/mol×K | 633.83 | Joback Calculated Property |
| Cp,gas | 270.30 | J/mol×K | 668.54 | 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 |
| η | [0.0003739; 0.0053237] | Pa×s | [268.21; 460.29] |
|
| η | 0.0053237 | Pa×s | 268.21 | Joback Calculated Property |
| η | 0.0027007 | Pa×s | 300.22 | Joback Calculated Property |
| η | 0.0015615 | Pa×s | 332.24 | Joback Calculated Property |
| η | 0.0009941 | Pa×s | 364.25 | Joback Calculated Property |
| η | 0.0006807 | Pa×s | 396.26 | Joback Calculated Property |
| η | 0.0004933 | Pa×s | 428.28 | Joback Calculated Property |
| η | 0.0003739 | Pa×s | 460.29 | 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 Yaw...
|
| 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 Pentaerythrityl tetrachloride.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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