- InChI
- InChI=1S/C6H11BrO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
- InChI Key
- HZTPKMIMXLTOSK-UHFFFAOYSA-N
- Formula
- C6H11BrO2
- SMILES
- CCCCC(Br)C(=O)O
- Molecular Weight1
- 195.05
- CAS
- 616-05-7
- Other Names
-
- «alpha»-Bromo-n-caproic acid
- «alpha»-Bromocaproic acid
- «alpha»-Bromohexanoic acid
- 2-Bromocaproic acid
- 2-Bromohexanoic acid
- 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 | 0.6986 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.025 | Crippen Calculated Property | |
| McVol | 120.340 | ml/mol | McGowan Calculated Property |
| Pc | 4098.62 | kPa | Joback Calculated Property |
| Tboil | 499.92 | K | Relay (1.0) Calculated Property |
| Tc | 693.50 | K | Relay (1.0) Calculated Property |
| Tfus | 275.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.424 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.40; 303.08] | J/mol×K | [548.45; 737.20] | 
|
| Cp,gas | 257.40 | J/mol×K | 548.45 | Joback Calculated Property |
| Cp,gas | 266.07 | J/mol×K | 579.91 | Joback Calculated Property |
| Cp,gas | 274.29 | J/mol×K | 611.37 | Joback Calculated Property |
| Cp,gas | 282.08 | J/mol×K | 642.83 | Joback Calculated Property |
| Cp,gas | 289.46 | J/mol×K | 674.29 | Joback Calculated Property |
| Cp,gas | 296.46 | J/mol×K | 705.74 | Joback Calculated Property |
| Cp,gas | 303.08 | J/mol×K | 737.20 | Joback Calculated Property |
| η | [0.0001610; 0.0123694] | Pa×s | [312.93; 548.45] |
|
| η | 0.0123694 | Pa×s | 312.93 | Joback Calculated Property |
| η | 0.0040083 | Pa×s | 352.18 | Joback Calculated Property |
| η | 0.0016283 | Pa×s | 391.44 | Joback Calculated Property |
| η | 0.0007795 | Pa×s | 430.69 | Joback Calculated Property |
| η | 0.0004220 | Pa×s | 469.94 | Joback Calculated Property |
| η | 0.0002512 | Pa×s | 509.20 | Joback Calculated Property |
| η | 0.0001610 | Pa×s | 548.45 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 410.20 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Hexanoic acid, 2-bromo-.
Sources
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