- InChI
- InChI=1S/C4H7Br3/c1-4(7,2-5)3-6/h2-3H2,1H3
- InChI Key
- OIRQLILPXCJMIY-UHFFFAOYSA-N
- Formula
- C4H7Br3
- SMILES
- CC(Br)(CBr)CBr
- Molecular Weight1
- 294.81
- CAS
- 631-28-7
- Other Names
-
- 1,2,3-tribromo-2-methylpropane
- Cp,gas : Ideal gas heat capacity (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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point 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 | -91.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.930 | Crippen Calculated Property | |
| McVol | 119.720 | ml/mol | McGowan Calculated Property |
| Tboil | 488.75 | K | Relay (1.0) Calculated Property |
| Tfus | 260.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.84; 254.37] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.48000e-01 | |||
| Coefficient B | 6.24220e-01 | |||
| Coefficient C | -5.79800e-04 | |||
| Coefficient D | 2.10600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 130.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 156.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 178.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 195.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 210.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 221.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 231.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 239.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 246.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 254.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029905; 0.0003575] | Pa×s | [316.66; 508.64] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.14397e+01 | |||
| Coefficient B | 1.78196e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 316.66 | |||
| Temperature range, max. | 508.64 | |||
| η | 0.0029905 | Pa×s | 316.66 | Calculated Property |
| η | 0.0020966 | Pa×s | 337.99 | Calculated Property |
| η | 0.0015331 | Pa×s | 359.32 | Calculated Property |
| η | 0.0011611 | Pa×s | 380.65 | Calculated Property |
| η | 0.0009057 | Pa×s | 401.98 | Calculated Property |
| η | 0.0007244 | Pa×s | 423.32 | Calculated Property |
| η | 0.0005920 | Pa×s | 444.65 | Calculated Property |
| η | 0.0004927 | Pa×s | 465.98 | Calculated Property |
| η | 0.0004168 | Pa×s | 487.31 | Calculated Property |
| η | 0.0003575 | Pa×s | 508.64 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 214.36] | kPa | [372.02; 522.47] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52873e+01 | |||
| Coefficient B | -4.40652e+03 | |||
| Coefficient C | -7.82460e+01 | |||
| Temperature range, min. | 372.02 | |||
| Temperature range, max. | 522.47 | |||
| Pvap | 1.33 | kPa | 372.02 | Calculated Property |
| Pvap | 2.99 | kPa | 388.74 | Calculated Property |
| Pvap | 6.17 | kPa | 405.45 | Calculated Property |
| Pvap | 11.88 | kPa | 422.17 | Calculated Property |
| Pvap | 21.51 | kPa | 438.89 | Calculated Property |
| Pvap | 36.96 | kPa | 455.60 | Calculated Property |
| Pvap | 60.66 | kPa | 472.32 | Calculated Property |
| Pvap | 95.62 | kPa | 489.04 | Calculated Property |
| Pvap | 145.44 | kPa | 505.75 | Calculated Property |
| Pvap | 214.36 | kPa | 522.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 2-methyl-1,2,3-tribromo-.
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
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