- InChI
- InChI=1S/C8H12Br2O2/c1-2-3-4-5-6-12-8(11)7(9)10/h3-4,7H,2,5-6H2,1H3/b4-3+
- InChI Key
- PCZGGCUZYASJQJ-ONEGZZNKSA-N
- Formula
- C8H12Br2O2
- SMILES
- CCC=CCCOC(=O)C(Br)Br
- Molecular Weight1
- 299.99
- 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 | 0.5741 | Relay (1.0) Calculated Property | |
| ΔfG° | -111.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -391.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.002 | Crippen Calculated Property | |
| McVol | 161.720 | ml/mol | McGowan Calculated Property |
| Pc | 3295.37 | kPa | Joback Calculated Property |
| Inp | 1427.00 | NIST | |
| I | 2003.00 | NIST | |
| Tboil | 523.03 | K | Relay (1.0) Calculated Property |
| Tc | 712.70 | K | Relay (1.0) Calculated Property |
| Tfus | 240.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.554 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.41; 393.08] | J/mol×K | [594.77; 810.53] | 
|
| Cp,gas | 337.41 | J/mol×K | 594.77 | Joback Calculated Property |
| Cp,gas | 348.21 | J/mol×K | 630.73 | Joback Calculated Property |
| Cp,gas | 358.36 | J/mol×K | 666.69 | Joback Calculated Property |
| Cp,gas | 367.88 | J/mol×K | 702.65 | Joback Calculated Property |
| Cp,gas | 376.81 | J/mol×K | 738.61 | Joback Calculated Property |
| Cp,gas | 385.20 | J/mol×K | 774.57 | Joback Calculated Property |
| Cp,gas | 393.08 | J/mol×K | 810.53 | Joback Calculated Property |
| η | [0.0001966; 0.0020487] | Pa×s | [351.60; 594.77] |
|
| η | 0.0020487 | Pa×s | 351.60 | Joback Calculated Property |
| η | 0.0011328 | Pa×s | 392.13 | Joback Calculated Property |
| η | 0.0006999 | Pa×s | 432.66 | Joback Calculated Property |
| η | 0.0004696 | Pa×s | 473.19 | Joback Calculated Property |
| η | 0.0003356 | Pa×s | 513.71 | Joback Calculated Property |
| η | 0.0002519 | Pa×s | 554.24 | Joback Calculated Property |
| η | 0.0001966 | Pa×s | 594.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3-Hexen-1-ol, dibromoacetate.
Sources
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