- InChI
- InChI=1S/C5H3Br3O2/c1-2-3-10-4(9)5(6,7)8/h1H,3H2
- InChI Key
- VSVLPDUZBGOESC-UHFFFAOYSA-N
- Formula
- C5H3Br3O2
- SMILES
- C#CCOC(=O)C(Br)(Br)Br
- Molecular Weight1
- 334.79
- 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.
- 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° | 26.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -29.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.75 | kJ/mol | Joback Calculated Property |
| log10WS | -2.97 | Crippen Calculated Property | |
| logPoct/wat | 2.001 | Crippen Calculated Property | |
| McVol | 132.650 | ml/mol | McGowan Calculated Property |
| Pc | 6122.63 | kPa | Joback Calculated Property |
| Inp | 1322.00 | NIST | |
| Tboil | 575.46 | K | Joback Calculated Property |
| Tc | 835.21 | K | Joback Calculated Property |
| Tfus | 447.06 | K | Joback Calculated Property |
| Vc | 0.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.45; 245.23] | J/mol×K | [575.46; 835.21] | 
|
| Cp,gas | 220.45 | J/mol×K | 575.46 | Joback Calculated Property |
| Cp,gas | 225.91 | J/mol×K | 618.75 | Joback Calculated Property |
| Cp,gas | 230.71 | J/mol×K | 662.04 | Joback Calculated Property |
| Cp,gas | 234.97 | J/mol×K | 705.34 | Joback Calculated Property |
| Cp,gas | 238.74 | J/mol×K | 748.63 | Joback Calculated Property |
| Cp,gas | 242.14 | J/mol×K | 791.92 | Joback Calculated Property |
| Cp,gas | 245.23 | J/mol×K | 835.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyn-1-ol, tribromoacetate.
Sources
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