- InChI
- InChI=1S/C7H10Br2O2/c1-3-4-5(2)11-7(10)6(8)9/h3,5-6H,1,4H2,2H3
- InChI Key
- JQTBJKRYXSYYEA-UHFFFAOYSA-N
- Formula
- C7H10Br2O2
- SMILES
- C=CCC(C)OC(=O)C(Br)Br
- Molecular Weight1
- 285.96
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5322 | Relay (1.0) Calculated Property | |
| ΔfG° | -114.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.610 | Crippen Calculated Property | |
| McVol | 147.630 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Inp | [1241.00; 1241.00] |
|
|
| Inp | 1241.00 | NIST | |
| Inp | 1241.00 | NIST | |
| I | [1784.00; 1784.00] |
|
|
| I | 1784.00 | NIST | |
| I | 1784.00 | NIST | |
| Tboil | 490.43 | K | Relay (1.0) Calculated Property |
| Tc | 686.70 | K | Relay (1.0) Calculated Property |
| Tfus | 255.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.498 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.26; 344.85] | J/mol×K | [563.97; 783.27] |
|
| Cp,gas | 293.26 | J/mol×K | 563.97 | Joback Calculated Property |
| Cp,gas | 303.32 | J/mol×K | 600.52 | Joback Calculated Property |
| Cp,gas | 312.75 | J/mol×K | 637.07 | Joback Calculated Property |
| Cp,gas | 321.60 | J/mol×K | 673.62 | Joback Calculated Property |
| Cp,gas | 329.88 | J/mol×K | 710.17 | Joback Calculated Property |
| Cp,gas | 337.62 | J/mol×K | 746.72 | Joback Calculated Property |
| Cp,gas | 344.85 | J/mol×K | 783.27 | Joback Calculated Property |
| η | [0.0002529; 0.0028871] | Pa×s | [328.65; 563.97] |
|
| η | 0.0028871 | Pa×s | 328.65 | Joback Calculated Property |
| η | 0.0015497 | Pa×s | 367.87 | Joback Calculated Property |
| η | 0.0009378 | Pa×s | 407.09 | Joback Calculated Property |
| η | 0.0006199 | Pa×s | 446.31 | Joback Calculated Property |
| η | 0.0004381 | Pa×s | 485.53 | Joback Calculated Property |
| η | 0.0003261 | Pa×s | 524.75 | Joback Calculated Property |
| η | 0.0002529 | Pa×s | 563.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Penten-2-ol, dibromoacetate.
Sources
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