- InChI
- InChI=1S/C5H10Br2/c1-5(2,3-6)4-7/h3-4H2,1-2H3
- InChI Key
- UXAFLFGXSIWWMY-UHFFFAOYSA-N
- Formula
- C5H10Br2
- SMILES
- CC(C)(CBr)CBr
- Molecular Weight1
- 229.94
- CAS
- 5434-27-5
- Other Names
-
- 1,3-Dibromo-2,2-dimethylpropane
- 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 | -163.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.802 | Crippen Calculated Property | |
| McVol | 116.310 | ml/mol | McGowan Calculated Property |
| Tboil | 455.60 | K | Relay (1.0) Calculated Property |
| Tfus | 275.24 | 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 | [138.06; 296.89] | 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 | -9.74800e+00 | |||
| Coefficient B | 6.81040e-01 | |||
| Coefficient C | -5.62800e-04 | |||
| Coefficient D | 1.88400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 169.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 195.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 217.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 236.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 251.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 265.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 276.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 287.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 296.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043647; 0.0003591] | Pa×s | [268.13; 462.95] |
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 | -1.13692e+01 | |||
| Coefficient B | 1.59134e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 268.13 | |||
| Temperature range, max. | 462.95 | |||
| η | 0.0043647 | Pa×s | 268.13 | Calculated Property |
| η | 0.0028016 | Pa×s | 289.78 | Calculated Property |
| η | 0.0019126 | Pa×s | 311.42 | Calculated Property |
| η | 0.0013721 | Pa×s | 333.07 | Calculated Property |
| η | 0.0010251 | Pa×s | 354.72 | Calculated Property |
| η | 0.0007920 | Pa×s | 376.37 | Calculated Property |
| η | 0.0006293 | Pa×s | 398.01 | Calculated Property |
| η | 0.0005120 | Pa×s | 419.66 | Calculated Property |
| η | 0.0004251 | Pa×s | 441.31 | Calculated Property |
| η | 0.0003591 | Pa×s | 462.95 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [344.92; 490.80] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48496e+01 | |||
| Coefficient B | -4.03310e+03 | |||
| Coefficient C | -6.79600e+01 | |||
| Temperature range, min. | 344.92 | |||
| Temperature range, max. | 490.80 | |||
| Pvap | 1.33 | kPa | 344.92 | Calculated Property |
| Pvap | 2.98 | kPa | 361.13 | Calculated Property |
| Pvap | 6.13 | kPa | 377.34 | Calculated Property |
| Pvap | 11.73 | kPa | 393.55 | Calculated Property |
| Pvap | 21.11 | kPa | 409.76 | Calculated Property |
| Pvap | 36.02 | kPa | 425.96 | Calculated Property |
| Pvap | 58.68 | kPa | 442.17 | Calculated Property |
| Pvap | 91.79 | kPa | 458.38 | Calculated Property |
| Pvap | 138.56 | kPa | 474.59 | Calculated Property |
| Pvap | 202.65 | kPa | 490.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,3-dibromo-2,2-dimethyl-.
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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