- InChI
- InChI=1S/C11H21BrO2/c1-2-3-4-7-10-14-11(13)8-5-6-9-12/h2-10H2,1H3
- InChI Key
- BXBXNTGHTDMQIS-UHFFFAOYSA-N
- Formula
- C11H21BrO2
- SMILES
- CCCCCCOC(=O)CCCCBr
- Molecular Weight1
- 265.19
- CAS
- 13931-42-5
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -177.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.72 | Crippen Calculated Property | |
| logPoct/wat | 3.675 | Crippen Calculated Property | |
| McVol | 190.790 | ml/mol | McGowan Calculated Property |
| Pc | 2145.33 | kPa | Joback Calculated Property |
| Inp | [1635.70; 1635.70] |
|
|
| Inp | 1635.70 | NIST | |
| Inp | 1635.70 | NIST | |
| Tboil | 593.53 | K | Joback Calculated Property |
| Tc | 777.06 | K | Joback Calculated Property |
| Tfus | 345.69 | K | Joback Calculated Property |
| Vc | 0.738 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.92; 538.21] | J/mol×K | [593.53; 777.06] |
|
| Cp,gas | 461.92 | J/mol×K | 593.53 | Joback Calculated Property |
| Cp,gas | 476.21 | J/mol×K | 624.12 | Joback Calculated Property |
| Cp,gas | 489.85 | J/mol×K | 654.71 | Joback Calculated Property |
| Cp,gas | 502.85 | J/mol×K | 685.30 | Joback Calculated Property |
| Cp,gas | 515.24 | J/mol×K | 715.88 | Joback Calculated Property |
| Cp,gas | 527.02 | J/mol×K | 746.47 | Joback Calculated Property |
| Cp,gas | 538.21 | J/mol×K | 777.06 | Joback Calculated Property |
| η | [0.0001961; 0.0021937] | Pa×s | [345.69; 593.53] |
|
| η | 0.0021937 | Pa×s | 345.69 | Joback Calculated Property |
| η | 0.0011833 | Pa×s | 387.00 | Joback Calculated Property |
| η | 0.0007190 | Pa×s | 428.30 | Joback Calculated Property |
| η | 0.0004769 | Pa×s | 469.61 | Joback Calculated Property |
| η | 0.0003380 | Pa×s | 510.92 | Joback Calculated Property |
| η | 0.0002522 | Pa×s | 552.22 | Joback Calculated Property |
| η | 0.0001961 | Pa×s | 593.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, hexyl ester.
Sources
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