- InChI
- InChI=1S/C6H11BrO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2
- InChI Key
- MHNWCBOXPOLLIB-UHFFFAOYSA-N
- Formula
- C6H11BrO
- SMILES
- BrCC1CCCCO1
- Molecular Weight1
- 179.06
- Other Names
-
- 2-(Bromomethyl)tetrahydro-2H-pyran
- Pyran, 2-(bromomethyl)tetrahydro-
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -206.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.950 | Crippen Calculated Property | |
| McVol | 107.910 | ml/mol | McGowan Calculated Property |
| Tboil | 426.20 | K | NIST |
| Tfus | 245.34 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [205.43; 279.04] | J/mol×K | [449.34; 674.65] | 
|
| Cp,gas | 205.43 | J/mol×K | 449.34 | Joback Calculated Property |
| Cp,gas | 219.73 | J/mol×K | 486.89 | Joback Calculated Property |
| Cp,gas | 233.17 | J/mol×K | 524.44 | Joback Calculated Property |
| Cp,gas | 245.80 | J/mol×K | 562.00 | Joback Calculated Property |
| Cp,gas | 257.63 | J/mol×K | 599.55 | Joback Calculated Property |
| Cp,gas | 268.70 | J/mol×K | 637.10 | Joback Calculated Property |
| Cp,gas | 279.04 | J/mol×K | 674.65 | Joback Calculated Property |
| η | [0.0004172; 0.0059330] | Pa×s | [251.13; 449.34] |
|
| η | 0.0059330 | Pa×s | 251.13 | Joback Calculated Property |
| η | 0.0029474 | Pa×s | 284.16 | Joback Calculated Property |
| η | 0.0016939 | Pa×s | 317.20 | Joback Calculated Property |
| η | 0.0010807 | Pa×s | 350.24 | Joback Calculated Property |
| η | 0.0007450 | Pa×s | 383.27 | Joback Calculated Property |
| η | 0.0005449 | Pa×s | 416.30 | Joback Calculated Property |
| η | 0.0004172 | Pa×s | 449.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran, 2-(bromomethyl)tetrahydro-.
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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