- InChI
- InChI=1S/C4H8Br2/c1-4(2,6)3-5/h3H2,1-2H3
- InChI Key
- SDTXSEXYPROZSZ-UHFFFAOYSA-N
- Formula
- C4H8Br2
- SMILES
- CC(C)(Br)CBr
- Molecular Weight1
- 215.92
- CAS
- 594-34-3
- Other Names
-
- 1,2-Dibromo-2-methylpropane
- 1,2-Dibromoisobutane
- Isobutylene bromide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | -113.30 ± 1.00 | kJ/mol | NIST |
| ΔfH°liquid | [-156.60; -150.50] | kJ/mol |
|
| ΔfH°liquid | -150.50 | kJ/mol | NIST |
| ΔfH°liquid | -156.60 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 9.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [43.30; 43.37] | kJ/mol |
|
| ΔvapH° | 43.37 | kJ/mol | NIST |
| ΔvapH° | 43.30 ± 0.10 | kJ/mol | NIST |
| IE | 10.05 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.555 | Crippen Calculated Property | |
| McVol | 102.220 | ml/mol | McGowan Calculated Property |
| Inp | [865.00; 893.00] |
|
|
| Inp | 865.00 | NIST | |
| Inp | 893.00 | NIST | |
| Inp | 893.00 | NIST | |
| Tboil | [422.15; 423.20] | K |
|
| Tboil | 423.20 | K | NIST |
| Tboil | 423.20 | K | NIST |
| Tboil | 422.15 ± 0.40 | K | NIST |
| Tfus | [202.85; 203.05] | K |
|
| Tfus | 203.05 ± 0.30 | K | NIST |
| Tfus | 202.85 ± 0.30 | K | NIST |
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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [33.30; 36.52] | kJ/mol | [333.00; 423.20] |
|
| ΔvapH | 33.30 | kJ/mol | 333.00 | NIST |
| ΔvapH | 36.52 | kJ/mol | 423.20 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 422.20 | K | 102.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [116.85; 245.30] | 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 | -8.83900e+00 | |||
| Coefficient B | 5.86040e-01 | |||
| Coefficient C | -5.08400e-04 | |||
| Coefficient D | 1.76500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 116.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 142.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 164.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 182.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 197.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 209.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 220.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 229.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 237.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 245.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0211520; 0.0003713] | Pa×s | [202.95; 449.00] |
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 | -1.12331e+01 | |||
| Coefficient B | 1.49718e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 202.95 | |||
| Temperature range, max. | 449.00 | |||
| η | 0.0211520 | Pa×s | 202.95 | Calculated Property |
| η | 0.0088107 | Pa×s | 230.29 | Calculated Property |
| η | 0.0044197 | Pa×s | 257.63 | Calculated Property |
| η | 0.0025308 | Pa×s | 284.97 | Calculated Property |
| η | 0.0015978 | Pa×s | 312.30 | Calculated Property |
| η | 0.0010863 | Pa×s | 339.64 | Calculated Property |
| η | 0.0007822 | Pa×s | 366.98 | Calculated Property |
| η | 0.0005895 | Pa×s | 394.32 | Calculated Property |
| η | 0.0004609 | Pa×s | 421.66 | Calculated Property |
| η | 0.0003713 | Pa×s | 449.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [321.76; 448.95] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.38853e+01 | |||
| Coefficient B | -2.95167e+03 | |||
| Coefficient C | -1.04684e+02 | |||
| Temperature range, min. | 321.76 | |||
| Temperature range, max. | 448.95 | |||
| Pvap | 1.33 | kPa | 321.76 | Calculated Property |
| Pvap | 3.06 | kPa | 335.89 | Calculated Property |
| Pvap | 6.39 | kPa | 350.02 | Calculated Property |
| Pvap | 12.30 | kPa | 364.16 | Calculated Property |
| Pvap | 22.14 | kPa | 378.29 | Calculated Property |
| Pvap | 37.60 | kPa | 392.42 | Calculated Property |
| Pvap | 60.78 | kPa | 406.55 | Calculated Property |
| Pvap | 94.12 | kPa | 420.69 | Calculated Property |
| Pvap | 140.39 | kPa | 434.82 | Calculated Property |
| Pvap | 202.65 | kPa | 448.95 | Calculated Property |
| Pvap | [0.13; 100.57] | kPa | [244.40; 422.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.22290e+01 | |||
| Coefficient B | -2.91075e+03 | |||
| Coefficient C | -3.99210e+01 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 244.40 | |||
| Temperature range, max. | 422.00 | |||
| Pvap | 0.13 | kPa | 244.40 | Calculated Property |
| Pvap | 0.47 | kPa | 264.13 | Calculated Property |
| Pvap | 1.35 | kPa | 283.87 | Calculated Property |
| Pvap | 3.29 | kPa | 303.60 | Calculated Property |
| Pvap | 7.09 | kPa | 323.33 | Calculated Property |
| Pvap | 13.84 | kPa | 343.07 | Calculated Property |
| Pvap | 24.88 | kPa | 362.80 | Calculated Property |
| Pvap | 41.82 | kPa | 382.53 | Calculated Property |
| Pvap | 66.42 | kPa | 402.27 | Calculated Property |
| Pvap | 100.57 | kPa | 422.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,2-dibromo-2-methyl-.
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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