- InChI
- InChI=1S/C7H13BrO2/c1-3-5-6(8)7(9)10-4-2/h6H,3-5H2,1-2H3
- InChI Key
- ORSIRXYHFPHWTN-UHFFFAOYSA-N
- Formula
- C7H13BrO2
- SMILES
- CCCC(Br)C(=O)OCC
- Molecular Weight1
- 209.08
- CAS
- 615-83-8
- Other Names
-
- Ethyl «alpha»-bromovalerate
- Pentanoic acid, 2-bromo-, ethyl ester
- Ethanol, 2-bromopentanoate
- 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 | 0.5041 | Relay (1.0) Calculated Property | |
| ΔfG° | -290.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.113 | Crippen Calculated Property | |
| McVol | 134.430 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| Inp | [1085.00; 1163.00] |
|
|
| Inp | 1163.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Tboil | 464.20 | K | NIST |
| Tc | 644.96 | K | Relay (1.0) Calculated Property |
| Tfus | 236.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.492 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.44; 334.61] | J/mol×K | [483.70; 676.94] |
|
| Cp,gas | 273.44 | J/mol×K | 483.70 | Joback Calculated Property |
| Cp,gas | 284.96 | J/mol×K | 515.91 | Joback Calculated Property |
| Cp,gas | 295.94 | J/mol×K | 548.11 | Joback Calculated Property |
| Cp,gas | 306.38 | J/mol×K | 580.32 | Joback Calculated Property |
| Cp,gas | 316.30 | J/mol×K | 612.53 | Joback Calculated Property |
| Cp,gas | 325.71 | J/mol×K | 644.74 | Joback Calculated Property |
| Cp,gas | 334.61 | J/mol×K | 676.94 | Joback Calculated Property |
| η | [0.0002654; 0.0058825] | Pa×s | [255.78; 483.70] |
|
| η | 0.0058825 | Pa×s | 255.78 | Joback Calculated Property |
| η | 0.0025136 | Pa×s | 293.77 | Joback Calculated Property |
| η | 0.0013049 | Pa×s | 331.75 | Joback Calculated Property |
| η | 0.0007752 | Pa×s | 369.74 | Joback Calculated Property |
| η | 0.0005074 | Pa×s | 407.73 | Joback Calculated Property |
| η | 0.0003570 | Pa×s | 445.71 | Joback Calculated Property |
| η | 0.0002654 | Pa×s | 483.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 2-bromovalerate.
Sources
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