- InChI
- InChI=1S/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)
- InChI Key
- HAIUIAZIUDPZIE-UHFFFAOYSA-N
- Formula
- C4H7BrO2
- SMILES
- CC(Br)CC(=O)O
- Molecular Weight1
- 167.00
- CAS
- 2623-86-1
- Other Names
-
- Butanoic acid, 3-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 | 0.6475 | Relay (1.0) Calculated Property | |
| ΔfG° | -271.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -471.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.244 | Crippen Calculated Property | |
| McVol | 92.160 | ml/mol | McGowan Calculated Property |
| Pc | 5327.93 | kPa | Joback Calculated Property |
| Tboil | 476.95 | K | Relay (1.0) Calculated Property |
| Tc | 686.51 | K | Relay (1.0) Calculated Property |
| Tfus | 322.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.314 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.75; 208.61] | J/mol×K | [502.69; 696.12] | 
|
| Cp,gas | 174.75 | J/mol×K | 502.69 | Joback Calculated Property |
| Cp,gas | 181.21 | J/mol×K | 534.93 | Joback Calculated Property |
| Cp,gas | 187.32 | J/mol×K | 567.17 | Joback Calculated Property |
| Cp,gas | 193.11 | J/mol×K | 599.41 | Joback Calculated Property |
| Cp,gas | 198.57 | J/mol×K | 631.65 | Joback Calculated Property |
| Cp,gas | 203.74 | J/mol×K | 663.89 | Joback Calculated Property |
| Cp,gas | 208.61 | J/mol×K | 696.12 | Joback Calculated Property |
| η | [0.0002386; 0.0180688] | Pa×s | [290.39; 502.69] |
|
| η | 0.0180688 | Pa×s | 290.39 | Joback Calculated Property |
| η | 0.0059375 | Pa×s | 325.77 | Joback Calculated Property |
| η | 0.0024265 | Pa×s | 361.16 | Joback Calculated Property |
| η | 0.0011634 | Pa×s | 396.54 | Joback Calculated Property |
| η | 0.0006292 | Pa×s | 431.92 | Joback Calculated Property |
| η | 0.0003734 | Pa×s | 467.31 | Joback Calculated Property |
| η | 0.0002386 | Pa×s | 502.69 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 395.00 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to 3-bromobutyric acid.
Sources
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