- InChI
- InChI=1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3
- InChI Key
- KQEVIFKPZOGBMZ-UHFFFAOYSA-N
- Formula
- C4H7BrO2
- SMILES
- COC(=O)CCBr
- Molecular Weight1
- 167.00
- CAS
- 3395-91-3
- Other Names
-
- Propionic acid, 3-bromo-, methyl ester
- «beta»-Bromopropionic acid, methyl ester
- Methyl «beta»-bromopropionate
- Methyl 3-bromopropanoate
- Methyl 3-bromopropionate
- 3-Bromopropionic acid methyl ester
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 | 0.4879 | Relay (1.0) Calculated Property | |
| ΔfG° | -236.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -408.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.944 | Crippen Calculated Property | |
| McVol | 92.160 | ml/mol | McGowan Calculated Property |
| Pc | 4522.49 | kPa | Joback Calculated Property |
| Inp | 902.00 | NIST | |
| Tboil | 441.32 | K | Relay (1.0) Calculated Property |
| Tc | 617.57 | K | Relay (1.0) Calculated Property |
| Tfus | 237.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.323 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.76; 196.99] | J/mol×K | [433.37; 632.29] | 
|
| Cp,gas | 158.76 | J/mol×K | 433.37 | Joback Calculated Property |
| Cp,gas | 165.82 | J/mol×K | 466.52 | Joback Calculated Property |
| Cp,gas | 172.60 | J/mol×K | 499.68 | Joback Calculated Property |
| Cp,gas | 179.11 | J/mol×K | 532.83 | Joback Calculated Property |
| Cp,gas | 185.34 | J/mol×K | 565.98 | Joback Calculated Property |
| Cp,gas | 191.30 | J/mol×K | 599.13 | Joback Calculated Property |
| Cp,gas | 196.99 | J/mol×K | 632.29 | Joback Calculated Property |
| η | [0.0003772; 0.0026007] | Pa×s | [266.80; 433.37] |
|
| η | 0.0026007 | Pa×s | 266.80 | Joback Calculated Property |
| η | 0.0016199 | Pa×s | 294.56 | Joback Calculated Property |
| η | 0.0010947 | Pa×s | 322.32 | Joback Calculated Property |
| η | 0.0007873 | Pa×s | 350.09 | Joback Calculated Property |
| η | 0.0005942 | Pa×s | 377.85 | Joback Calculated Property |
| η | 0.0004662 | Pa×s | 405.61 | Joback Calculated Property |
| η | 0.0003772 | Pa×s | 433.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-, methyl ester.
Sources
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