- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.99; 342.54] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.26590e+01 | |||
| Coefficient B | 7.31100e-01 | |||
| Coefficient C | -4.41100e-04 | |||
| Coefficient D | 9.52000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 125.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 165.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 199.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 229.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 256.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 279.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 299.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 316.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 330.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 342.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0059330; 0.0003539] | Pa×s | [251.13; 472.47] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.11453e+01 | |||
| Coefficient B | 1.51132e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 251.13 | |||
| Temperature range, max. | 472.47 | |||
| η | 0.0059330 | Pa×s | 251.13 | Calculated Property |
| η | 0.0034686 | Pa×s | 275.72 | Calculated Property |
| η | 0.0022142 | Pa×s | 300.32 | Calculated Property |
| η | 0.0015128 | Pa×s | 324.91 | Calculated Property |
| η | 0.0010905 | Pa×s | 349.50 | Calculated Property |
| η | 0.0008207 | Pa×s | 374.10 | Calculated Property |
| η | 0.0006397 | Pa×s | 398.69 | Calculated Property |
| η | 0.0005132 | Pa×s | 423.28 | Calculated Property |
| η | 0.0004218 | Pa×s | 447.88 | Calculated Property |
| η | 0.0003539 | Pa×s | 472.47 | 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
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