- InChI
- InChI=1S/C8H15BrO2/c1-3-4-5-6-11-8(10)7(2)9/h7H,3-6H2,1-2H3
- InChI Key
- IJSDPKDUSUXUFY-UHFFFAOYSA-N
- Formula
- C8H15BrO2
- SMILES
- CCCCCOC(=O)C(C)Br
- Molecular Weight1
- 223.11
- CAS
- 86711-73-1
- Other Names
-
- Propanoic acid, 2-bromo, pentyl ester
- Pentyl 2-bromopropanoate
- 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 | 0.5720 | Relay (1.0) Calculated Property | |
| ΔfG° | -205.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.503 | Crippen Calculated Property | |
| McVol | 148.520 | ml/mol | McGowan Calculated Property |
| Pc | 2881.21 | kPa | Joback Calculated Property |
| Inp | [1194.00; 1213.60] |
|
|
| Inp | 1198.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1213.60 | NIST | |
| Inp | 1213.60 | NIST | |
| Inp | 1198.00 | NIST | |
| I | [1584.00; 1584.00] |
|
|
| I | 1584.00 | NIST | |
| I | 1584.00 | NIST | |
| Tboil | 477.48 | K | Relay (1.0) Calculated Property |
| Tc | 663.84 | K | Relay (1.0) Calculated Property |
| Tfus | 258.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.544 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.63; 385.87] | J/mol×K | [524.45; 718.18] |
|
| Cp,gas | 320.63 | J/mol×K | 524.45 | Joback Calculated Property |
| Cp,gas | 332.86 | J/mol×K | 556.74 | Joback Calculated Property |
| Cp,gas | 344.53 | J/mol×K | 589.03 | Joback Calculated Property |
| Cp,gas | 355.66 | J/mol×K | 621.31 | Joback Calculated Property |
| Cp,gas | 366.25 | J/mol×K | 653.60 | Joback Calculated Property |
| Cp,gas | 376.32 | J/mol×K | 685.89 | Joback Calculated Property |
| Cp,gas | 385.87 | J/mol×K | 718.18 | Joback Calculated Property |
| η | [0.0002562; 0.0033286] | Pa×s | [296.88; 524.45] |
|
| η | 0.0033286 | Pa×s | 296.88 | Joback Calculated Property |
| η | 0.0017041 | Pa×s | 334.81 | Joback Calculated Property |
| η | 0.0009998 | Pa×s | 372.74 | Joback Calculated Property |
| η | 0.0006473 | Pa×s | 410.67 | Joback Calculated Property |
| η | 0.0004510 | Pa×s | 448.59 | Joback Calculated Property |
| η | 0.0003325 | Pa×s | 486.52 | Joback Calculated Property |
| η | 0.0002562 | Pa×s | 524.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2- Bromopropionic acid, pentyl ester.
Sources
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