- InChI
- InChI=1S/C5H8Br4/c6-1-5(2-7,3-8)4-9/h1-4H2
- InChI Key
- OYSVBCSOQFXYHK-UHFFFAOYSA-N
- Formula
- C5H8Br4
- SMILES
- BrCC(CBr)(CBr)CBr
- Molecular Weight1
- 387.73
- CAS
- 3229-00-3
- Other Names
-
- 1,3-Dibromo-2,2-bis(bromomethyl)propane
- 2,2-Bis(bromomethyl)-1,3-dibromopropane
- NSC 8998
- Pentaerythritol tetrabromide
- Pentaerythrityl bromide
- Pentaerythrityl tetrabromide
- Tetra(bromomethyl)methane
- Tetrabromoneopentane
- Tetrakis(bromomethyl)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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -75.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.43 | kJ/mol | Joback Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.552 | Crippen Calculated Property | |
| McVol | 151.310 | ml/mol | McGowan Calculated Property |
| S°solid,1 bar | [291.12; 297.12] | J/mol×K |
|
| S°solid,1 bar | 297.12 | J/mol×K | NIST |
| S°solid,1 bar | 291.12 | J/mol×K | NIST |
| S°solid,1 bar | 291.12 | J/mol×K | NIST |
| Tboil | 578.70 | K | NIST |
| Tfus | 396.44 | K | Relay (1.0) Calculated Property |
| Ttriple | [433.45; 433.45] | K |
|
| Ttriple | 433.45 ± 0.05 | K | NIST |
| Ttriple | 433.45 ± 0.05 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 | [257.71; 295.47] | J/mol×K | [575.41; 826.27] |
|
| Cp,gas | 257.71 | J/mol×K | 575.41 | Joback Calculated Property |
| Cp,gas | 265.65 | J/mol×K | 617.22 | Joback Calculated Property |
| Cp,gas | 272.77 | J/mol×K | 659.03 | Joback Calculated Property |
| Cp,gas | 279.21 | J/mol×K | 700.84 | Joback Calculated Property |
| Cp,gas | 285.06 | J/mol×K | 742.65 | Joback Calculated Property |
| Cp,gas | 290.44 | J/mol×K | 784.46 | Joback Calculated Property |
| Cp,gas | 295.47 | J/mol×K | 826.27 | Joback Calculated Property |
| Cp,solid | [213.80; 218.57] | J/mol×K | [298.15; 298.15] |
|
| Cp,solid | 218.57 | J/mol×K | 298.15 | NIST |
| Cp,solid | 213.80 | J/mol×K | 298.15 | NIST |
| Cp,solid | 213.80 | J/mol×K | 298.15 | NIST |
| Csat | [310.90; 316.90] | J/mol×K | [440.00; 460.00] |
|
| Csat | 310.90 | J/mol×K | 440.00 | 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 | 312.90 | J/mol×K | 450.00 | 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 | 316.90 | J/mol×K | 460.00 | 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 | [0.0002954; 0.0018190] | Pa×s | [387.73; 575.41] |
|
| η | 0.0018190 | Pa×s | 387.73 | Joback Calculated Property |
| η | 0.0011999 | Pa×s | 419.01 | Joback Calculated Property |
| η | 0.0008386 | Pa×s | 450.29 | Joback Calculated Property |
| η | 0.0006140 | Pa×s | 481.57 | Joback Calculated Property |
| η | 0.0004670 | Pa×s | 512.85 | Joback Calculated Property |
| η | 0.0003665 | Pa×s | 544.13 | Joback Calculated Property |
| η | 0.0002954 | Pa×s | 575.41 | Joback Calculated Property |
| ΔfusH | [27.97; 27.97] | kJ/mol | [433.45; 433.50] |
|
| ΔfusH | 27.97 | kJ/mol | 433.45 | NIST |
| ΔfusH | 27.97 | kJ/mol | 433.45 | NIST |
| ΔfusH | 27.97 | kJ/mol | 433.50 | NIST |
| ΔfusH | 27.97 | kJ/mol | 433.50 | NIST |
| ΔsubH | 84.00 | kJ/mol | 409.00 | NIST |
| ΔvapH | 61.00 | kJ/mol | 452.50 | NIST |
| ΔfusS | [64.52; 64.52] | J/mol×K | [433.45; 433.45] |
|
| ΔfusS | 64.52 | J/mol×K | 433.45 | NIST |
| ΔfusS | 64.52 | J/mol×K | 433.45 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.98; 202.67] | kPa | [436.15; 610.50] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55318e+01 | |||
| Coefficient B | -5.19682e+03 | |||
| Coefficient C | -1.02015e+02 | |||
| Temperature range, min. | 436.15 | |||
| Temperature range, max. | 610.50 | |||
| Pvap | 0.98 | kPa | 436.15 | Calculated Property |
| Pvap | 2.30 | kPa | 455.52 | Calculated Property |
| Pvap | 4.93 | kPa | 474.89 | Calculated Property |
| Pvap | 9.81 | kPa | 494.27 | Calculated Property |
| Pvap | 18.29 | kPa | 513.64 | Calculated Property |
| Pvap | 32.27 | kPa | 533.01 | Calculated Property |
| Pvap | 54.20 | kPa | 552.38 | Calculated Property |
| Pvap | 87.23 | kPa | 571.76 | Calculated Property |
| Pvap | 135.20 | kPa | 591.13 | Calculated Property |
| Pvap | 202.67 | kPa | 610.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,3-dibromo-2,2-bis(bromomethyl)-.
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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