- InChI
- InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
- InChI Key
- GRHQDJDRGZFIPO-UHFFFAOYSA-N
- Formula
- C4H7BrO2
- SMILES
- O=C(O)CCCBr
- Molecular Weight1
- 167.00
- CAS
- 2623-87-2
- Other Names
-
- 4-Bromo-n-butyric acid
- Butanoic acid, 4-bromo-
- Butyric acid, 4-bromo-
- 4-Bromobutanoic acid
- «gamma»-Bromobutyric acid
- Carboxypropyl bromide
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -268.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.36 | kJ/mol | Joback Calculated Property |
| log10WS | -1.03 | Crippen Calculated Property | |
| logPoct/wat | 1.246 | Crippen Calculated Property | |
| McVol | 92.160 | ml/mol | McGowan Calculated Property |
| Pc | 5266.25 | kPa | Joback Calculated Property |
| Tboil | 503.13 | K | Joback Calculated Property |
| Tc | 692.48 | K | Joback Calculated Property |
| Tfus | 306.00 | K | NIST |
| Vc | 0.346 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.41; 207.36] | J/mol×K | [503.13; 692.48] | 
|
| Cp,gas | 174.41 | J/mol×K | 503.13 | Joback Calculated Property |
| Cp,gas | 180.67 | J/mol×K | 534.69 | Joback Calculated Property |
| Cp,gas | 186.60 | J/mol×K | 566.25 | Joback Calculated Property |
| Cp,gas | 192.22 | J/mol×K | 597.80 | Joback Calculated Property |
| Cp,gas | 197.54 | J/mol×K | 629.36 | Joback Calculated Property |
| Cp,gas | 202.59 | J/mol×K | 660.92 | Joback Calculated Property |
| Cp,gas | 207.36 | J/mol×K | 692.48 | Joback Calculated Property |
| η | [0.0002517; 0.0110350] | Pa×s | [305.39; 503.13] |
|
| η | 0.0110350 | Pa×s | 305.39 | Joback Calculated Property |
| η | 0.0043236 | Pa×s | 338.35 | Joback Calculated Property |
| η | 0.0020006 | Pa×s | 371.30 | Joback Calculated Property |
| η | 0.0010497 | Pa×s | 404.26 | Joback Calculated Property |
| η | 0.0006070 | Pa×s | 437.22 | Joback Calculated Property |
| η | 0.0003790 | Pa×s | 470.17 | Joback Calculated Property |
| η | 0.0002517 | Pa×s | 503.13 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [381.50; 402.70] | K | [0.30; 1.50] |
|
| Tboilr | 381.50 ± 0.50 | K | 0.30 | NIST |
| Tboilr | 402.70 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to 4-Bromobutyric acid.
Sources
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