- InChI
- InChI=1S/C4H7BrO2/c1-4(6)7-3-2-5/h2-3H2,1H3
- InChI Key
- RGHQKFQZGLKBCF-UHFFFAOYSA-N
- Formula
- C4H7BrO2
- SMILES
- CC(=O)OCCBr
- Molecular Weight1
- 167.00
- Other Names
-
- Bromoethyl acetate
- 1-Acetoxy-2-bromoethane
- 1-Bromo-2-acetoxyethane
- 2-Bromoethyl acetate
- 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.
- 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 | 0.5021 | Relay (1.0) Calculated Property | |
| ΔfG° | -313.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -428.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.944 | Crippen Calculated Property | |
| McVol | 92.160 | ml/mol | McGowan Calculated Property |
| Pc | 4283.05 | kPa | Joback Calculated Property |
| Inp | [882.00; 882.00] |
|
|
| Inp | 882.00 | NIST | |
| Inp | 882.00 | NIST | |
| Tboil | [431.00; 435.00] | K |
|
| Tboil | 432.20 | K | NIST |
| Tboil | 435.00 | K | NIST |
| Tboil | 431.00 ± 7.00 | K | NIST |
| Tc | 616.29 | K | Relay (1.0) Calculated Property |
| Tfus | 224.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.336 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.94; 196.52] | J/mol×K | [415.50; 610.58] |
|
| Cp,gas | 156.94 | J/mol×K | 415.50 | Joback Calculated Property |
| Cp,gas | 164.33 | J/mol×K | 448.01 | Joback Calculated Property |
| Cp,gas | 171.41 | J/mol×K | 480.53 | Joback Calculated Property |
| Cp,gas | 178.16 | J/mol×K | 513.04 | Joback Calculated Property |
| Cp,gas | 184.59 | J/mol×K | 545.56 | Joback Calculated Property |
| Cp,gas | 190.71 | J/mol×K | 578.07 | Joback Calculated Property |
| Cp,gas | 196.52 | J/mol×K | 610.58 | Joback Calculated Property |
| η | [0.0003605; 0.0042569] | Pa×s | [236.97; 415.50] |
|
| η | 0.0042569 | Pa×s | 236.97 | Joback Calculated Property |
| η | 0.0022425 | Pa×s | 266.73 | Joback Calculated Property |
| η | 0.0013435 | Pa×s | 296.48 | Joback Calculated Property |
| η | 0.0008837 | Pa×s | 326.24 | Joback Calculated Property |
| η | 0.0006235 | Pa×s | 355.99 | Joback Calculated Property |
| η | 0.0004642 | Pa×s | 385.75 | Joback Calculated Property |
| η | 0.0003605 | Pa×s | 415.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanol, 2-bromo-, acetate.
Sources
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