- 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
- Other Names
-
- 4-Bromo-n-butyric acid
- Butanoic acid, 4-bromo-
- Butyric acid, 4-bromo-
- 4-Bromobutanoic acid
- «gamma»-Bromobutyric acid
- Carboxypropyl bromide
- 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 | 0.6990 | Relay (1.0) Calculated Property | |
| ΔfG° | -346.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -448.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.246 | Crippen Calculated Property | |
| McVol | 92.160 | ml/mol | McGowan Calculated Property |
| Pc | 4795.85 | kPa | Joback Calculated Property |
| Tboil | 513.06 | K | Relay (1.0) Calculated Property |
| Tc | 718.94 | K | Relay (1.0) Calculated Property |
| Tfus | 306.00 | K | NIST |
| Vc | 0.330 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.89; 213.06] | J/mol×K | [502.79; 712.52] | 
|
| Cp,gas | 176.89 | J/mol×K | 502.79 | Joback Calculated Property |
| Cp,gas | 183.92 | J/mol×K | 537.74 | Joback Calculated Property |
| Cp,gas | 190.52 | J/mol×K | 572.70 | Joback Calculated Property |
| Cp,gas | 196.71 | J/mol×K | 607.65 | Joback Calculated Property |
| Cp,gas | 202.51 | J/mol×K | 642.61 | Joback Calculated Property |
| Cp,gas | 207.95 | J/mol×K | 677.56 | Joback Calculated Property |
| Cp,gas | 213.06 | J/mol×K | 712.52 | Joback Calculated Property |
| η | [0.0003958; 0.0016671] | Pa×s | [355.24; 502.79] |
|
| η | 0.0016671 | Pa×s | 355.24 | Joback Calculated Property |
| η | 0.0012139 | Pa×s | 379.83 | Joback Calculated Property |
| η | 0.0009187 | Pa×s | 404.42 | Joback Calculated Property |
| η | 0.0007178 | Pa×s | 429.01 | Joback Calculated Property |
| η | 0.0005761 | Pa×s | 453.61 | Joback Calculated Property |
| η | 0.0004729 | Pa×s | 478.20 | Joback Calculated Property |
| η | 0.0003958 | Pa×s | 502.79 | 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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