- InChI
- InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)
- InChI Key
- UEBARDWJXBGYEJ-UHFFFAOYSA-N
- Formula
- C5H9BrO2
- SMILES
- CC(C)C(Br)C(=O)O
- Molecular Weight1
- 181.03
- CAS
- 565-74-2
- Other Names
-
- Butyric acid, 2-bromo-3-methyl-
- «alpha»-Bromoisovaleric acid
- 2-Bromo-3-methylbutyric acid
- 2-Bromoisovaleric acid
- 2-Bromo-3-methylbutanoic acid
- NSC 167
- Isovaleric acid, «alpha»-bromo-
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.6311 | Relay (1.0) Calculated Property | |
| ΔfG° | -265.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.490 | Crippen Calculated Property | |
| McVol | 106.250 | ml/mol | McGowan Calculated Property |
| Pc | 4704.19 | kPa | Joback Calculated Property |
| Tboil | 467.93 | K | Relay (1.0) Calculated Property |
| Tc | 680.21 | K | Relay (1.0) Calculated Property |
| Tfus | 348.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.361 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.45; 256.54] | J/mol×K | [525.13; 720.21] | 
|
| Cp,gas | 215.45 | J/mol×K | 525.13 | Joback Calculated Property |
| Cp,gas | 223.30 | J/mol×K | 557.64 | Joback Calculated Property |
| Cp,gas | 230.73 | J/mol×K | 590.16 | Joback Calculated Property |
| Cp,gas | 237.75 | J/mol×K | 622.67 | Joback Calculated Property |
| Cp,gas | 244.38 | J/mol×K | 655.19 | Joback Calculated Property |
| Cp,gas | 250.64 | J/mol×K | 687.70 | Joback Calculated Property |
| Cp,gas | 256.54 | J/mol×K | 720.21 | Joback Calculated Property |
| η | [0.0001851; 0.0254209] | Pa×s | [286.66; 525.13] |
|
| η | 0.0254209 | Pa×s | 286.66 | Joback Calculated Property |
| η | 0.0067911 | Pa×s | 326.41 | Joback Calculated Property |
| η | 0.0024162 | Pa×s | 366.15 | Joback Calculated Property |
| η | 0.0010525 | Pa×s | 405.89 | Joback Calculated Property |
| η | 0.0005317 | Pa×s | 445.64 | Joback Calculated Property |
| η | 0.0003004 | Pa×s | 485.38 | Joback Calculated Property |
| η | 0.0001851 | Pa×s | 525.13 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 398.20 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-bromo-3-methyl-.
Sources
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