- InChI
- InChI=1S/C5H4Br2O2/c1-2-3-9-5(8)4(6)7/h1,4H,3H2
- InChI Key
- APSASYICDFPGGQ-UHFFFAOYSA-N
- Formula
- C5H4Br2O2
- SMILES
- C#CCOC(=O)C(Br)Br
- Molecular Weight1
- 255.89
- 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° | 6.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.22 | kJ/mol | Joback Calculated Property |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 1.279 | Crippen Calculated Property | |
| McVol | 115.150 | ml/mol | McGowan Calculated Property |
| Pc | 5422.51 | kPa | Joback Calculated Property |
| Inp | [1130.00; 1130.00] |
|
|
| Inp | 1130.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Tboil | 512.09 | K | Joback Calculated Property |
| Tc | 746.04 | K | Joback Calculated Property |
| Tfus | 369.84 | K | Joback Calculated Property |
| Vc | 0.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.41; 224.54] | J/mol×K | [512.09; 746.04] |
|
| Cp,gas | 193.41 | J/mol×K | 512.09 | Joback Calculated Property |
| Cp,gas | 199.60 | J/mol×K | 551.08 | Joback Calculated Property |
| Cp,gas | 205.37 | J/mol×K | 590.07 | Joback Calculated Property |
| Cp,gas | 210.71 | J/mol×K | 629.06 | Joback Calculated Property |
| Cp,gas | 215.68 | J/mol×K | 668.06 | Joback Calculated Property |
| Cp,gas | 220.27 | J/mol×K | 707.05 | Joback Calculated Property |
| Cp,gas | 224.54 | J/mol×K | 746.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propynyl dibromoacetate.
Sources
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