- InChI
- InChI=1S/C5H5BrO2/c1-2-3-8-5(7)4-6/h1H,3-4H2
- InChI Key
- IBTTUWBRHGUTTA-UHFFFAOYSA-N
- Formula
- C5H5BrO2
- SMILES
- C#CCOC(=O)CBr
- Molecular Weight1
- 177.00
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | -5.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -73.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.17 | kJ/mol | Joback Calculated Property |
| log10WS | -1.00 | Crippen Calculated Property | |
| logPoct/wat | 0.558 | Crippen Calculated Property | |
| McVol | 97.650 | ml/mol | McGowan Calculated Property |
| Pc | 4856.20 | kPa | Joback Calculated Property |
| Inp | [958.00; 958.00] |
|
|
| Inp | 958.00 | NIST | |
| Inp | 958.00 | NIST | |
| I | [1731.00; 1731.00] |
|
|
| I | 1731.00 | NIST | |
| I | 1731.00 | NIST | |
| Tboil | 446.37 | K | Joback Calculated Property |
| Tc | 657.88 | K | Joback Calculated Property |
| Tfus | 325.04 | K | Joback Calculated Property |
| Vc | 0.363 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.58; 201.62] | J/mol×K | [446.37; 657.88] |
|
| Cp,gas | 167.58 | J/mol×K | 446.37 | Joback Calculated Property |
| Cp,gas | 174.05 | J/mol×K | 481.62 | Joback Calculated Property |
| Cp,gas | 180.18 | J/mol×K | 516.87 | Joback Calculated Property |
| Cp,gas | 185.99 | J/mol×K | 552.13 | Joback Calculated Property |
| Cp,gas | 191.50 | J/mol×K | 587.38 | Joback Calculated Property |
| Cp,gas | 196.70 | J/mol×K | 622.63 | Joback Calculated Property |
| Cp,gas | 201.62 | J/mol×K | 657.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propy1-ol, bromoacetate.
Sources
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