- InChI
- InChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
- InChI Key
- YXZFFTJAHVMMLF-UHFFFAOYSA-N
- Formula
- C5H11Br
- SMILES
- CC(C)CCBr
- Molecular Weight1
- 151.05
- CAS
- 107-82-4
- Other Names
-
- 1-Bromo-3-methylbutane
- 3-Methylbutyl bromide
- 4-Bromo-2-methylbutane
- BrCH2CH2CH(CH3)2
- ISO-AMYL BROMIDE
- Isoamyl bromide
- Isopentyl bromide
- UN 2341
- 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).
- 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.
- I : 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 | 0.3827 | Relay (1.0) Calculated Property | |
| ΔfG° | 3.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -143.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Aq. Solubility Prediction | |
| logPoct/wat | 2.427 | Crippen Calculated Property | |
| McVol | 98.810 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Inp | [794.00; 867.00] |
|
|
| Inp | 856.00 | NIST | |
| Inp | 867.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 794.00 | NIST | |
| I | [991.00; 1009.00] |
|
|
| I | 1002.00 | NIST | |
| I | 1009.00 | NIST | |
| I | 991.00 | NIST | |
| I | 1002.00 | NIST | |
| Tboil | [392.00; 394.60] | K |
|
| Tboil | 393.50 ± 0.50 | K | NIST |
| Tboil | 393.60 | K | NIST |
| Tboil | 393.40 ± 5.00 | K | NIST |
| Tboil | 393.80 ± 0.50 | K | NIST |
| Tboil | 393.80 ± 0.40 | K | NIST |
| Tboil | 393.45 ± 0.30 | K | NIST |
| Tboil | 394.60 ± 0.50 | K | NIST |
| Tboil | 393.75 ± 0.50 | K | NIST |
| Tboil | 393.50 ± 0.50 | K | NIST |
| Tboil | 393.50 ± 0.50 | K | NIST |
| Tboil | 393.80 ± 0.40 | K | NIST |
| Tboil | 393.50 ± 0.50 | K | NIST |
| Tboil | 393.75 ± 0.40 | K | NIST |
| Tboil | Outlier 392.00 ± 4.00 | K | NIST |
| Tc | 566.81 | K | Relay (1.0) Calculated Property |
| Tfus | 167.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.353 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.30; 212.94] | J/mol×K | [379.52; 568.83] |
|
| Cp,gas | 161.30 | J/mol×K | 379.52 | Joback Calculated Property |
| Cp,gas | 170.96 | J/mol×K | 411.07 | Joback Calculated Property |
| Cp,gas | 180.18 | J/mol×K | 442.62 | Joback Calculated Property |
| Cp,gas | 188.97 | J/mol×K | 474.18 | Joback Calculated Property |
| Cp,gas | 197.35 | J/mol×K | 505.73 | Joback Calculated Property |
| Cp,gas | 205.34 | J/mol×K | 537.28 | Joback Calculated Property |
| Cp,gas | 212.94 | J/mol×K | 568.83 | Joback Calculated Property |
| Cp,liquid | 187.00 | J/mol×K | 298.00 | NIST |
| η | [0.0003481; 0.0061616] | Pa×s | [190.91; 379.52] |
|
| η | 0.0061616 | Pa×s | 190.91 | Joback Calculated Property |
| η | 0.0027207 | Pa×s | 222.34 | Joback Calculated Property |
| η | 0.0014710 | Pa×s | 253.78 | Joback Calculated Property |
| η | 0.0009108 | Pa×s | 285.21 | Joback Calculated Property |
| η | 0.0006202 | Pa×s | 316.65 | Joback Calculated Property |
| η | 0.0004527 | Pa×s | 348.08 | Joback Calculated Property |
| η | 0.0003481 | Pa×s | 379.52 | Joback Calculated Property |
| ΔvapH | [36.60; 41.00] | kJ/mol | [323.00; 394.60] |
|
| ΔvapH | 41.00 | kJ/mol | 323.00 | NIST |
| ΔvapH | 37.90 | kJ/mol | 371.00 | NIST |
| ΔvapH | 36.60 | kJ/mol | 394.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [288.10; 420.02] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47040e+01 | |||
| Coefficient B | -3.55550e+03 | |||
| Coefficient C | -4.14710e+01 | |||
| Temperature range, min. | 288.10 | |||
| Temperature range, max. | 420.02 | |||
| Pvap | 1.33 | kPa | 288.10 | Calculated Property |
| Pvap | 2.99 | kPa | 302.76 | Calculated Property |
| Pvap | 6.17 | kPa | 317.42 | Calculated Property |
| Pvap | 11.81 | kPa | 332.07 | Calculated Property |
| Pvap | 21.25 | kPa | 346.73 | Calculated Property |
| Pvap | 36.24 | kPa | 361.39 | Calculated Property |
| Pvap | 58.98 | kPa | 376.05 | Calculated Property |
| Pvap | 92.12 | kPa | 390.70 | Calculated Property |
| Pvap | 138.83 | kPa | 405.36 | Calculated Property |
| Pvap | 202.67 | kPa | 420.02 | Calculated Property |
| Pvap | [4.09; 283.17] | kPa | [306.15; 436.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.26440e+01 | |||
| Coefficient B | -7.33684e+03 | |||
| Coefficient C | -1.01195e+01 | |||
| Coefficient D | 6.99212e-06 | |||
| Temperature range, min. | 306.15 | |||
| Temperature range, max. | 436.15 | |||
| Pvap | 4.09 | kPa | 306.15 | Calculated Property |
| Pvap | 8.05 | kPa | 320.59 | Calculated Property |
| Pvap | 14.78 | kPa | 335.04 | Calculated Property |
| Pvap | 25.54 | kPa | 349.48 | Calculated Property |
| Pvap | 41.91 | kPa | 363.93 | Calculated Property |
| Pvap | 65.78 | kPa | 378.37 | Calculated Property |
| Pvap | 99.30 | kPa | 392.82 | Calculated Property |
| Pvap | 144.89 | kPa | 407.26 | Calculated Property |
| Pvap | 205.21 | kPa | 421.71 | Calculated Property |
| Pvap | 283.17 | kPa | 436.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-bromo-3-methyl-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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