- InChI
- InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3
- InChI Key
- HLVFKOKELQSXIQ-UHFFFAOYSA-N
- Formula
- C4H9Br
- SMILES
- CC(C)CBr
- Molecular Weight1
- 137.02
- CAS
- 78-77-3
- Other Names
-
- 1-Bromo-2-methylpropane
- Isobutyl bromide
- UN 2342
- i-Butyl bromide
- iso-C4H9Br
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid 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).
- 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).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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° | -5.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -104.84 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -160.00 | kJ/mol | NIST |
| ΔfusH° | 7.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [34.90; 34.90] | kJ/mol |
|
| ΔvapH° | 34.90 | kJ/mol | NIST |
| ΔvapH° | 34.90 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 34.90 ± 0.02 | kJ/mol | NIST |
| IE | [10.09; 10.11] | eV |
|
| IE | 10.09 ± 0.02 | eV | NIST |
| IE | 10.11 | eV | NIST |
| IE | 10.09 | eV | NIST |
| IE | 10.10 ± 0.01 | eV | NIST |
| IE | 10.09 ± 0.02 | eV | NIST |
| log10WS | [-2.43; -2.43] |
|
|
| log10WS | -2.43 | Aq. Sol... | |
| log10WS | -2.43 | Estimat... | |
| logPoct/wat | 2.037 | Crippen Calculated Property | |
| McVol | 84.720 | ml/mol | McGowan Calculated Property |
| Pc | 4299.92 | kPa | Joback Calculated Property |
| Inp | [666.00; 711.00] |
|
|
| Inp | 666.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 676.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 676.00 | NIST | |
| Inp | 679.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 676.00 | NIST | |
| Inp | 686.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 679.00 | NIST | |
| Inp | 682.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | Outlier 711.00 | NIST | |
| Inp | Outlier 699.00 | NIST | |
| Inp | 677.00 | NIST | |
| Tboil | [364.00; 364.90] | K |
|
| Tboil | 364.00 ± 1.00 | K | NIST |
| Tboil | Outlier 364.90 | K | NIST |
| Tboil | 364.30 | K | NIST |
| Tboil | 364.60 ± 0.70 | K | NIST |
| Tboil | 364.55 ± 0.25 | K | NIST |
| Tboil | 364.20 ± 0.50 | K | NIST |
| Tboil | 364.10 ± 0.50 | K | NIST |
| Tboil | 364.55 ± 0.50 | K | NIST |
| Tboil | 364.10 ± 0.50 | K | NIST |
| Tboil | 364.25 ± 0.30 | K | NIST |
| Tc | 567.20 | K | NIST |
| Tfus | [155.00; 155.80] | K |
|
| Tfus | 155.75 ± 1.00 | K | NIST |
| Tfus | 155.00 ± 2.00 | K | NIST |
| Tfus | 155.80 ± 0.40 | K | NIST |
| Tfus | 155.15 ± 0.50 | K | NIST |
| Tfus | 155.10 ± 0.20 | K | NIST |
| Vc | 0.316 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.42; 170.96] | J/mol×K | [356.64; 546.81] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 130 140 150 160 170 400 450 500 550 | ||||
| Cp,gas | 127.42 | J/mol×K | 356.64 | Joback Calculated Property |
| Cp,gas | 135.57 | J/mol×K | 388.34 | Joback Calculated Property |
| Cp,gas | 143.34 | J/mol×K | 420.03 | Joback Calculated Property |
| Cp,gas | 150.76 | J/mol×K | 451.73 | Joback Calculated Property |
| Cp,gas | 157.82 | J/mol×K | 483.42 | Joback Calculated Property |
| Cp,gas | 164.55 | J/mol×K | 515.12 | Joback Calculated Property |
| Cp,gas | 170.96 | J/mol×K | 546.81 | Joback Calculated Property |
| Cp,liquid | [154.40; 163.70] | J/mol×K | [298.00; 298.15] |
|
| Cp,liquid | 154.40 | J/mol×K | 298.00 | NIST |
| Cp,liquid | 163.70 | J/mol×K | 298.15 | NIST |
| η | [0.0003566; 0.0058035] | Pa×s | [179.64; 356.64] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 6.00e-3 200 250 300 350 | ||||
| η | 0.0058035 | Pa×s | 179.64 | Joback Calculated Property |
| η | 0.0026265 | Pa×s | 209.14 | Joback Calculated Property |
| η | 0.0014461 | Pa×s | 238.64 | Joback Calculated Property |
| η | 0.0009079 | Pa×s | 268.14 | Joback Calculated Property |
| η | 0.0006251 | Pa×s | 297.64 | Joback Calculated Property |
| η | 0.0004604 | Pa×s | 327.14 | Joback Calculated Property |
| η | 0.0003566 | Pa×s | 356.64 | Joback Calculated Property |
| ΔvapH | [31.33; 34.10] | kJ/mol | [330.00; 366.00] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 31.5 32 32.5 33 33.5 34 330 340 350 360 | ||||
| ΔvapH | 33.10 ± 0.10 | kJ/mol | 330.00 | NIST |
| ΔvapH | 34.10 | kJ/mol | 334.00 | NIST |
| ΔvapH | 32.60 ± 0.10 | kJ/mol | 341.00 | NIST |
| ΔvapH | 34.00 | kJ/mol | 342.50 | NIST |
| ΔvapH | 32.00 ± 0.10 | kJ/mol | 353.00 | NIST |
| ΔvapH | 31.33 | kJ/mol | 364.30 | NIST |
| ΔvapH | 31.40 ± 0.10 | kJ/mol | 366.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [265.38; 388.51] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48022e+01 | |||
| Coefficient B | -3.37619e+03 | |||
| Coefficient C | -3.27760e+01 | |||
| Temperature range, min. | 265.38 | |||
| Temperature range, max. | 388.51 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 | ||||
| Pvap | 1.33 | kPa | 265.38 | Calculated Property |
| Pvap | 2.99 | kPa | 279.06 | Calculated Property |
| Pvap | 6.14 | kPa | 292.74 | Calculated Property |
| Pvap | 11.76 | kPa | 306.42 | Calculated Property |
| Pvap | 21.16 | kPa | 320.10 | Calculated Property |
| Pvap | 36.09 | kPa | 333.79 | Calculated Property |
| Pvap | 58.77 | kPa | 347.47 | Calculated Property |
| Pvap | 91.89 | kPa | 361.15 | Calculated Property |
| Pvap | 138.63 | kPa | 374.83 | Calculated Property |
| Pvap | 202.63 | kPa | 388.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1-bromo-2-methyl-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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