- InChI
- InChI=1S/C6H7BrO2/c1-2-3-4-9-6(8)5-7/h1H,3-5H2
- InChI Key
- KEPUSJCWMJKCFF-UHFFFAOYSA-N
- Formula
- C6H7BrO2
- SMILES
- C#CCCOC(=O)CBr
- Molecular Weight1
- 191.02
- 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° | 3.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -93.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.40 | kJ/mol | Joback Calculated Property |
| log10WS | -1.42 | Crippen Calculated Property | |
| logPoct/wat | 0.948 | Crippen Calculated Property | |
| McVol | 111.740 | ml/mol | McGowan Calculated Property |
| Pc | 4266.28 | kPa | Joback Calculated Property |
| Inp | [1040.00; 1040.00] |
|
|
| Inp | 1040.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Tboil | 469.25 | K | Joback Calculated Property |
| Tc | 677.91 | K | Joback Calculated Property |
| Tfus | 336.31 | K | Joback Calculated Property |
| Vc | 0.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.74; 246.48] | J/mol×K | [469.25; 677.91] |
|
| Cp,gas | 204.74 | J/mol×K | 469.25 | Joback Calculated Property |
| Cp,gas | 212.66 | J/mol×K | 504.03 | Joback Calculated Property |
| Cp,gas | 220.18 | J/mol×K | 538.80 | Joback Calculated Property |
| Cp,gas | 227.31 | J/mol×K | 573.58 | Joback Calculated Property |
| Cp,gas | 234.06 | J/mol×K | 608.36 | Joback Calculated Property |
| Cp,gas | 240.45 | J/mol×K | 643.14 | Joback Calculated Property |
| Cp,gas | 246.48 | J/mol×K | 677.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Butenyl bromoacetate.
Sources
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