- 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).
- 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).
- 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 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 51.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -49.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.17 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Crippen Calculated Property | |
| logPoct/wat | 3.552 | Crippen Calculated Property | |
| McVol | 151.310 | ml/mol | McGowan Calculated Property |
| Pc | 5080.25 | kPa | Joback 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 |
| Tc | 825.98 | K | Joback Calculated Property |
| Tfus | 387.73 | K | Joback Calculated Property |
| Ttriple | 433.45 ± 0.05 | K | NIST |
| Vc | 0.552 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.67; 295.44] | J/mol×K | [575.21; 825.98] |
|
| Cp,gas | 257.67 | J/mol×K | 575.21 | Joback Calculated Property |
| Cp,gas | 265.61 | J/mol×K | 617.00 | Joback Calculated Property |
| Cp,gas | 272.74 | J/mol×K | 658.80 | Joback Calculated Property |
| Cp,gas | 279.17 | J/mol×K | 700.59 | Joback Calculated Property |
| Cp,gas | 285.02 | J/mol×K | 742.39 | Joback Calculated Property |
| Cp,gas | 290.41 | J/mol×K | 784.18 | Joback Calculated Property |
| Cp,gas | 295.44 | J/mol×K | 825.98 | 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 |
| η | [0.0002958; 0.0018190] | Pa×s | [387.73; 575.21] |
|
| η | 0.0018190 | Pa×s | 387.73 | Joback Calculated Property |
| η | 0.0012004 | Pa×s | 418.98 | Joback Calculated Property |
| η | 0.0008392 | Pa×s | 450.22 | Joback Calculated Property |
| η | 0.0006146 | Pa×s | 481.47 | Joback Calculated Property |
| η | 0.0004675 | Pa×s | 512.72 | Joback Calculated Property |
| η | 0.0003670 | Pa×s | 543.96 | Joback Calculated Property |
| η | 0.0002958 | Pa×s | 575.21 | 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 | 433.50 | 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 | J/mol×K | 433.45 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.98; 202.67] | kPa | [436.15; 610.50] |
The Yaw...
|
| 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
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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