- InChI
- InChI=1S/C4H7BrO/c1-4(3-5)6-2/h3H,1-2H3/b4-3-
- InChI Key
- QQCZQRCXTYQIKT-ARJAWSKDSA-N
- Formula
- C4H7BrO
- SMILES
- COC(C)=CBr
- Molecular Weight1
- 151.00
- 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).
- 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° | -36.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.38 | kJ/mol | Joback Calculated Property |
| log10WS | -1.86 | Crippen Calculated Property | |
| logPoct/wat | 1.889 | Crippen Calculated Property | |
| McVol | 86.290 | ml/mol | McGowan Calculated Property |
| Pc | 4486.22 | kPa | Joback Calculated Property |
| I | [1025.00; 1025.00] |
|
|
| I | 1025.00 | NIST | |
| I | 1025.00 | NIST | |
| Tboil | 383.54 | K | Joback Calculated Property |
| Tc | 583.66 | K | Joback Calculated Property |
| Tfus | 197.83 | K | Joback Calculated Property |
| Vc | 0.321 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.64; 171.17] | J/mol×K | [383.54; 583.66] |
|
| Cp,gas | 132.64 | J/mol×K | 383.54 | Joback Calculated Property |
| Cp,gas | 139.90 | J/mol×K | 416.89 | Joback Calculated Property |
| Cp,gas | 146.81 | J/mol×K | 450.25 | Joback Calculated Property |
| Cp,gas | 153.37 | J/mol×K | 483.60 | Joback Calculated Property |
| Cp,gas | 159.61 | J/mol×K | 516.96 | Joback Calculated Property |
| Cp,gas | 165.54 | J/mol×K | 550.31 | Joback Calculated Property |
| Cp,gas | 171.17 | J/mol×K | 583.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromo-2-methoxypropene.
Sources
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