- InChI
- InChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3
- InChI Key
- YDCHPLOFQATIDS-UHFFFAOYSA-N
- Formula
- C3H5BrO2
- SMILES
- COC(=O)CBr
- Molecular Weight1
- 152.97
- CAS
- 96-32-2
- Other Names
-
- Bromoacetic acid methyl ester
- Methyl «alpha»-bromoacetate
- Methyl bromoacetate
- Methyl 2-bromoacetate
- Methyl monobromoacetate
- Methylester kyseliny bromoctove
- UN 2643
- Acetic acid, 2-bromo-, methyl ester
- NSC 2642
- 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).
- 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° | -245.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.86 | kJ/mol | Joback Calculated Property |
| IE | 10.37 ± 0.05 | eV | NIST |
| log10WS | -0.37 | Crippen Calculated Property | |
| logPoct/wat | 0.554 | Crippen Calculated Property | |
| McVol | 78.070 | ml/mol | McGowan Calculated Property |
| Pc | 5168.28 | kPa | Joback Calculated Property |
| Inp | [793.00; 810.00] |
|
|
| Inp | 810.00 | NIST | |
| Inp | 800.20 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 810.00 | NIST | |
| Tboil | 417.00 | K | NIST |
| Tc | 611.45 | K | Joback Calculated Property |
| Tfus | 255.53 | K | Joback Calculated Property |
| Vc | 0.289 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.98; 153.88] | J/mol×K | [410.49; 611.45] |
|
| Cp,gas | 123.98 | J/mol×K | 410.49 | Joback Calculated Property |
| Cp,gas | 129.47 | J/mol×K | 443.98 | Joback Calculated Property |
| Cp,gas | 134.75 | J/mol×K | 477.48 | Joback Calculated Property |
| Cp,gas | 139.83 | J/mol×K | 510.97 | Joback Calculated Property |
| Cp,gas | 144.72 | J/mol×K | 544.46 | Joback Calculated Property |
| Cp,gas | 149.40 | J/mol×K | 577.96 | Joback Calculated Property |
| Cp,gas | 153.88 | J/mol×K | 611.45 | Joback Calculated Property |
| η | [0.0003983; 0.0025095] | Pa×s | [255.53; 410.49] |
|
| η | 0.0025095 | Pa×s | 255.53 | Joback Calculated Property |
| η | 0.0016040 | Pa×s | 281.36 | Joback Calculated Property |
| η | 0.0011054 | Pa×s | 307.18 | Joback Calculated Property |
| η | 0.0008070 | Pa×s | 333.01 | Joback Calculated Property |
| η | 0.0006165 | Pa×s | 358.84 | Joback Calculated Property |
| η | 0.0004883 | Pa×s | 384.66 | Joback Calculated Property |
| η | 0.0003983 | Pa×s | 410.49 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 324.70 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, bromo-, methyl ester.
Sources
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