- InChI
- InChI=1S/C10H19BrO3/c1-9(5-7-13-2)8-14-10(12)4-3-6-11/h9H,3-8H2,1-2H3
- InChI Key
- OYVOWOWYHJTHDD-UHFFFAOYSA-N
- Formula
- C10H19BrO3
- SMILES
- COCCC(C)COC(=O)CCCBr
- Molecular Weight1
- 267.16
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -686.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.47 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.377 | Crippen Calculated Property | |
| McVol | 182.570 | ml/mol | McGowan Calculated Property |
| Inp | [1619.00; 1619.00] |
|
|
| Inp | 1619.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Tboil | 551.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.00; 508.16] | J/mol×K | [574.76; 760.12] |
|
| Cp,gas | 434.00 | J/mol×K | 574.76 | Joback Calculated Property |
| Cp,gas | 447.94 | J/mol×K | 605.65 | Joback Calculated Property |
| Cp,gas | 461.25 | J/mol×K | 636.55 | Joback Calculated Property |
| Cp,gas | 473.92 | J/mol×K | 667.44 | Joback Calculated Property |
| Cp,gas | 485.95 | J/mol×K | 698.33 | Joback Calculated Property |
| Cp,gas | 497.37 | J/mol×K | 729.23 | Joback Calculated Property |
| Cp,gas | 508.16 | J/mol×K | 760.12 | Joback Calculated Property |
| η | [0.0001479; 0.0031576] | Pa×s | [311.82; 574.76] |
|
| η | 0.0031576 | Pa×s | 311.82 | Joback Calculated Property |
| η | 0.0013845 | Pa×s | 355.64 | Joback Calculated Property |
| η | 0.0007274 | Pa×s | 399.47 | Joback Calculated Property |
| η | 0.0004340 | Pa×s | 443.29 | Joback Calculated Property |
| η | 0.0002842 | Pa×s | 487.11 | Joback Calculated Property |
| η | 0.0001996 | Pa×s | 530.94 | Joback Calculated Property |
| η | 0.0001479 | Pa×s | 574.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutyric acid, 4-methoxy-2-methylbutyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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