- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -0.04 | kJ/mol | Joback Calculated Property |
| 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 | -2.04 | Crippen 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 | 552.68 | K | Joback 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 | 0.310 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.42; 176.32] | J/mol×K | [353.85; 552.68] |
|
| Cp,gas | 128.42 | J/mol×K | 353.85 | Joback Calculated Property |
| Cp,gas | 137.79 | J/mol×K | 386.99 | Joback Calculated Property |
| Cp,gas | 146.57 | J/mol×K | 420.13 | Joback Calculated Property |
| Cp,gas | 154.78 | J/mol×K | 453.27 | Joback Calculated Property |
| Cp,gas | 162.45 | J/mol×K | 486.41 | Joback Calculated Property |
| Cp,gas | 169.62 | J/mol×K | 519.55 | Joback Calculated Property |
| Cp,gas | 176.32 | J/mol×K | 552.68 | Joback Calculated Property |
| Cp,liquid | 165.70 | J/mol×K | 298.15 | NIST |
| η | [0.0004335; 0.0066215] | Pa×s | [197.06; 353.85] |
|
| η | 0.0066215 | Pa×s | 197.06 | Joback Calculated Property |
| η | 0.0032219 | Pa×s | 223.19 | Joback Calculated Property |
| η | 0.0018233 | Pa×s | 249.32 | Joback Calculated Property |
| η | 0.0011495 | Pa×s | 275.46 | Joback Calculated Property |
| η | 0.0007850 | Pa×s | 301.59 | Joback Calculated Property |
| η | 0.0005697 | Pa×s | 327.72 | Joback Calculated Property |
| η | 0.0004335 | Pa×s | 353.85 | Joback Calculated Property |
| 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 |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [247.28; 370.66] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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 |
Similar Compounds
Find more compounds similar to Propane, 2-bromo-2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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property mean.