- 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
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.3493 | Relay (1.0) Calculated Property | |
| ΔfG° | -5.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.86 | kJ/mol | Relay (1.0) 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. Solubility Prediction | |
| log10WS | -2.43 | Estimated Solubility | |
| 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 | 0.315 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
| ΔvapH | [31.33; 34.10] | kJ/mol | [330.00; 366.00] |
|
| 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 |
|---|---|---|---|---|
| Cp,gas | [104.01; 235.30] | 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 | 5.76100e+00 | |||
| Coefficient B | 4.27940e-01 | |||
| Coefficient C | -2.68400e-04 | |||
| Coefficient D | 7.00000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 104.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 126.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 146.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 164.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 180.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 194.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 206.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 217.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 226.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 235.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0139692; 0.0002674] | Pa×s | [155.36; 397.04] |
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 | -1.07699e+01 | |||
| Coefficient B | 1.00968e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 155.36 | |||
| Temperature range, max. | 397.04 | |||
| η | 0.0139692 | Pa×s | 155.36 | Calculated Property |
| η | 0.0053606 | Pa×s | 182.21 | Calculated Property |
| η | 0.0026310 | Pa×s | 209.07 | Calculated Property |
| η | 0.0015184 | Pa×s | 235.92 | Calculated Property |
| η | 0.0009805 | Pa×s | 262.77 | Calculated Property |
| η | 0.0006866 | Pa×s | 289.63 | Calculated Property |
| η | 0.0005108 | Pa×s | 316.48 | Calculated Property |
| η | 0.0003980 | Pa×s | 343.33 | Calculated Property |
| η | 0.0003215 | Pa×s | 370.19 | Calculated Property |
| η | 0.0002674 | Pa×s | 397.04 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [265.38; 388.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 | |||
| 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
- Cheméo Relay (1.0)
- 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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