- InChI
- InChI=1S/C8H13BrO2/c1-2-3-4-5-6-11-8(10)7-9/h3-4H,2,5-7H2,1H3/b4-3+
- InChI Key
- FTORJGKHTVJLQS-ONEGZZNKSA-N
- Formula
- C8H13BrO2
- SMILES
- CCC=CCCOC(=O)CBr
- Molecular Weight1
- 221.09
- 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 | 0.5406 | Relay (1.0) Calculated Property | |
| ΔfG° | -122.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -440.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.281 | Crippen Calculated Property | |
| McVol | 144.220 | ml/mol | McGowan Calculated Property |
| Pc | 3022.28 | kPa | Joback Calculated Property |
| Inp | [1251.00; 1251.00] |
|
|
| Inp | 1251.00 | NIST | |
| Inp | 1251.00 | NIST | |
| I | 1779.00 | NIST | |
| Tboil | 495.67 | K | Relay (1.0) Calculated Property |
| Tc | 683.45 | K | Relay (1.0) Calculated Property |
| Tfus | 219.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.508 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.89; 362.00] | J/mol×K | [529.05; 727.25] |
|
| Cp,gas | 301.89 | J/mol×K | 529.05 | Joback Calculated Property |
| Cp,gas | 313.29 | J/mol×K | 562.08 | Joback Calculated Property |
| Cp,gas | 324.10 | J/mol×K | 595.12 | Joback Calculated Property |
| Cp,gas | 334.36 | J/mol×K | 628.15 | Joback Calculated Property |
| Cp,gas | 344.08 | J/mol×K | 661.18 | Joback Calculated Property |
| Cp,gas | 353.29 | J/mol×K | 694.22 | Joback Calculated Property |
| Cp,gas | 362.00 | J/mol×K | 727.25 | Joback Calculated Property |
| η | [0.0002303; 0.0023389] | Pa×s | [306.80; 529.05] |
|
| η | 0.0023389 | Pa×s | 306.80 | Joback Calculated Property |
| η | 0.0012907 | Pa×s | 343.84 | Joback Calculated Property |
| η | 0.0007996 | Pa×s | 380.88 | Joback Calculated Property |
| η | 0.0005392 | Pa×s | 417.92 | Joback Calculated Property |
| η | 0.0003877 | Pa×s | 454.97 | Joback Calculated Property |
| η | 0.0002930 | Pa×s | 492.01 | Joback Calculated Property |
| η | 0.0002303 | Pa×s | 529.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3-Hexen-1-ol, bromoacetate.
Sources
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