- InChI
- InChI=1S/C4H9Br/c1-4(2,3)5/h1-3H3
- InChI Key
- RKSOPLXZQNSWAS-UHFFFAOYSA-N
- Formula
- C4H9Br
- SMILES
- CC(C)(C)Br
- Molecular Weight1
- 137.02
- CAS
- 507-19-7
- Other Names
-
- 1,1-Dimethylethyl bromide
- 2-Bromo-2-methylpropane
- 2-Bromoisobutane
- 2-Methyl-2-bromopropane
- Bromotrimethylmethane
- Butylbromide, tert-
- NSC 8418
- Tertiarybutyl bromide
- Trimethylbromomethane
- t-Butyl bromide
- tert-Butyl bromide
- tert-C4H9Br
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| ΔfH°gas | -132.40 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | [-164.00; -133.40] | kJ/mol |
|
| ΔfH°liquid | -133.40 | kJ/mol | NIST |
| ΔfH°liquid | -164.00 | kJ/mol | NIST |
| ΔfusH° | 3.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [31.00; 31.93] | kJ/mol |
|
| ΔvapH° | 31.93 | kJ/mol | NIST |
| ΔvapH° | 31.00 | kJ/mol | NIST |
| ΔvapH° | 31.80 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 31.81 ± 0.12 | kJ/mol | NIST |
| ΔvapH° | 31.00 ± 0.84 | kJ/mol | NIST |
| IE | [9.89; 10.05] | eV |
|
| IE | 9.92 ± 0.03 | eV | NIST |
| IE | 9.95 | eV | NIST |
| IE | 9.95 ± 0.01 | eV | NIST |
| IE | 9.89 ± 0.03 | eV | NIST |
| IE | 9.95 | eV | NIST |
| IE | Outlier 10.05 | eV | NIST |
| log10WS | -2.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.180 | Crippen Calculated Property | |
| McVol | 84.720 | ml/mol | McGowan Calculated Property |
| Pc | 4362.63 | kPa | Joback Calculated Property |
| Inp | [595.00; 633.00] |
|
|
| Inp | 595.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 603.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 619.00 | NIST | |
| Inp | 623.00 | NIST | |
| Inp | 633.00 | NIST | |
| Inp | 615.00 | NIST | |
| Tboil | [346.00; 348.00] | K |
|
| Tboil | 346.40 | K | NIST |
| Tboil | 348.00 | K | NIST |
| Tboil | 346.40 | K | NIST |
| Tboil | 346.00 ± 2.00 | K | NIST |
| Tboil | 346.10 ± 0.30 | K | NIST |
| Tc | 538.50 | K | Relay (1.0) Calculated Property |
| Tfus | [146.00; 256.95] | K |
|
| Tfus | 256.95 ± 0.40 | K | NIST |
| Tfus | 256.20 ± 0.20 | K | NIST |
| Tfus | 146.00 ± 3.00 | K | NIST |
| Tfus | 246.05 ± 0.30 | K | NIST |
| Vc | 0.321 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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 |
|---|---|---|---|---|
| Cp,liquid | [151.00; 165.70] | J/mol×K | [260.00; 298.15] |
|
| Cp,liquid | 151.00 | J/mol×K | 260.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 151.00 | J/mol×K | 265.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 165.70 | J/mol×K | 298.15 | NIST |
| ΔfusH | [1.05; 5.65] | kJ/mol | [208.60; 256.10] |
|
| ΔfusH | 5.65 | kJ/mol | 208.60 | NIST |
| ΔfusH | 1.05 | kJ/mol | 231.50 | NIST |
| ΔfusH | 1.97 | kJ/mol | 256.10 | NIST |
| ΔfusH | 1.97 | kJ/mol | 256.10 | NIST |
| ΔvapH | [29.23; 31.50] | kJ/mol | [297.00; 346.40] |
|
| ΔvapH | 31.40 | kJ/mol | 297.00 | NIST |
| ΔvapH | 31.20 | kJ/mol | 309.50 | NIST |
| ΔvapH | 31.50 | kJ/mol | 310.50 | NIST |
| ΔvapH | 29.23 | kJ/mol | 346.40 | NIST |
| ΔfusS | [4.52; 27.08] | J/mol×K | [208.60; 256.10] |
|
| ΔfusS | 27.08 | J/mol×K | 208.60 | NIST |
| ΔfusS | 4.52 | J/mol×K | 231.50 | NIST |
| ΔfusS | 7.68 | J/mol×K | 256.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [102.86; 236.23] | 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 | -1.70300e+01 | |||
| Coefficient B | 5.47860e-01 | |||
| Coefficient C | -4.37000e-04 | |||
| Coefficient D | 1.42400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 102.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 128.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 150.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 168.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 184.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 197.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 209.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 219.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 227.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 236.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029903; 0.0003230] | Pa×s | [226.30; 387.10] |
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 | -1.11699e+01 | |||
| Coefficient B | 1.21240e+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. | 226.30 | |||
| Temperature range, max. | 387.10 | |||
| η | 0.0029903 | Pa×s | 226.30 | Calculated Property |
| η | 0.0020205 | Pa×s | 244.17 | Calculated Property |
| η | 0.0014402 | Pa×s | 262.03 | Calculated Property |
| η | 0.0010719 | Pa×s | 279.90 | Calculated Property |
| η | 0.0008266 | Pa×s | 297.77 | Calculated Property |
| η | 0.0006564 | Pa×s | 315.63 | Calculated Property |
| η | 0.0005343 | Pa×s | 333.50 | Calculated Property |
| η | 0.0004442 | Pa×s | 351.37 | Calculated Property |
| η | 0.0003759 | Pa×s | 369.23 | Calculated Property |
| η | 0.0003230 | Pa×s | 387.10 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [247.28; 370.66] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48023e+01 | |||
| Coefficient B | -3.38330e+03 | |||
| Coefficient C | -1.41810e+01 | |||
| Temperature range, min. | 247.28 | |||
| Temperature range, max. | 370.66 | |||
| Pvap | 1.33 | kPa | 247.28 | Calculated Property |
| Pvap | 2.99 | kPa | 260.99 | Calculated Property |
| Pvap | 6.14 | kPa | 274.70 | Calculated Property |
| Pvap | 11.76 | kPa | 288.41 | Calculated Property |
| Pvap | 21.16 | kPa | 302.12 | Calculated Property |
| Pvap | 36.09 | kPa | 315.82 | Calculated Property |
| Pvap | 58.77 | kPa | 329.53 | Calculated Property |
| Pvap | 91.89 | kPa | 343.24 | Calculated Property |
| Pvap | 138.63 | kPa | 356.95 | Calculated Property |
| Pvap | 202.64 | kPa | 370.66 | Calculated Property |
| Pvap | [5.62; 101.49] | kPa | [273.00; 346.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51152e+01 | |||
| Coefficient B | -3.54533e+03 | |||
| Coefficient C | -8.19500e+00 | |||
| Reference | Bryce-Smith and Howlett, 1951, 2 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 346.00 | |||
| Pvap | 5.62 | kPa | 273.00 | Calculated Property |
| Pvap | 8.37 | kPa | 281.11 | Calculated Property |
| Pvap | 12.18 | kPa | 289.22 | Calculated Property |
| Pvap | 17.35 | kPa | 297.33 | Calculated Property |
| Pvap | 24.24 | kPa | 305.44 | Calculated Property |
| Pvap | 33.28 | kPa | 313.56 | Calculated Property |
| Pvap | 44.94 | kPa | 321.67 | Calculated Property |
| Pvap | 59.77 | kPa | 329.78 | Calculated Property |
| Pvap | 78.40 | kPa | 337.89 | Calculated Property |
| Pvap | 101.49 | kPa | 346.00 | Calculated Property |
| Pvap | [5.62; 101.49] | kPa | [273.00; 346.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51152e+01 | |||
| Coefficient B | -3.54533e+03 | |||
| Coefficient C | -8.19500e+00 | |||
| Reference | Bryce-Smith and Howlett, 1951 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 346.00 | |||
| Pvap | 5.62 | kPa | 273.00 | Calculated Property |
| Pvap | 8.37 | kPa | 281.11 | Calculated Property |
| Pvap | 12.18 | kPa | 289.22 | Calculated Property |
| Pvap | 17.35 | kPa | 297.33 | Calculated Property |
| Pvap | 24.24 | kPa | 305.44 | Calculated Property |
| Pvap | 33.28 | kPa | 313.56 | Calculated Property |
| Pvap | 44.94 | kPa | 321.67 | Calculated Property |
| Pvap | 59.77 | kPa | 329.78 | Calculated Property |
| Pvap | 78.40 | kPa | 337.89 | Calculated Property |
| Pvap | 101.49 | kPa | 346.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 2-bromo-2-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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