- InChI
- InChI=1S/C8H15BrO2/c1-2-3-4-5-8(10)11-7-6-9/h2-7H2,1H3
- InChI Key
- AHELICBDMBDYSN-UHFFFAOYSA-N
- Formula
- C8H15BrO2
- SMILES
- CCCCCC(=O)OCCBr
- Molecular Weight1
- 223.11
- CAS
- 6282-52-6
- 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 | 0.6500 | Relay (1.0) Calculated Property | |
| ΔfG° | -203.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.505 | Crippen Calculated Property | |
| McVol | 148.520 | ml/mol | McGowan Calculated Property |
| Pc | 2856.62 | kPa | Joback Calculated Property |
| Inp | [1261.00; 1282.00] |
|
|
| Inp | 1261.00 | NIST | |
| Inp | 1282.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Tboil | 495.86 | K | Relay (1.0) Calculated Property |
| Tc | 677.48 | K | Relay (1.0) Calculated Property |
| Tfus | 241.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.542 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.33; 384.11] | J/mol×K | [524.89; 714.63] |
|
| Cp,gas | 320.33 | J/mol×K | 524.89 | Joback Calculated Property |
| Cp,gas | 332.24 | J/mol×K | 556.51 | Joback Calculated Property |
| Cp,gas | 343.62 | J/mol×K | 588.14 | Joback Calculated Property |
| Cp,gas | 354.49 | J/mol×K | 619.76 | Joback Calculated Property |
| Cp,gas | 364.86 | J/mol×K | 651.38 | Joback Calculated Property |
| Cp,gas | 374.73 | J/mol×K | 683.00 | Joback Calculated Property |
| Cp,gas | 384.11 | J/mol×K | 714.63 | Joback Calculated Property |
| η | [0.0002718; 0.0025371] | Pa×s | [311.88; 524.89] |
|
| η | 0.0025371 | Pa×s | 311.88 | Joback Calculated Property |
| η | 0.0014455 | Pa×s | 347.38 | Joback Calculated Property |
| η | 0.0009142 | Pa×s | 382.88 | Joback Calculated Property |
| η | 0.0006249 | Pa×s | 418.38 | Joback Calculated Property |
| η | 0.0004533 | Pa×s | 453.89 | Joback Calculated Property |
| η | 0.0003445 | Pa×s | 489.39 | Joback Calculated Property |
| η | 0.0002718 | Pa×s | 524.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 2-bromoethyl ester.
Sources
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