- InChI
- InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2
- InChI Key
- GKIPXFAANLTWBM-UHFFFAOYSA-N
- Formula
- C3H5BrO
- SMILES
- BrCC1CO1
- Molecular Weight1
- 136.97
- CAS
- 3132-64-7
- Other Names
-
- Propane, 1-bromo-2,3-epoxy-
- (Bromomethyl)ethylene oxide
- Epibromhydrin
- Epibromohydrin
- 1-Bromo-2,3-epoxypropane
- 1,2-Epoxy-3-bromopropane
- 2-(Bromomethyl)oxirane
- (Bromomethyl)oxirane
- Epibromohydrine
- Propane, 3-bromo-1,2-epoxy-
- 3-Bromo-1,2-epoxypropane
- UN 2558
- (.+/-.)-(Bromomethyl)oxirane
- NSC 630
- Oxirane, 2-(bromomethyl)-
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | -82.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.92 | kJ/mol | Joback Calculated Property |
| IE | 10.46 | eV | NIST |
| logPoct/wat | 0.780 | Crippen Calculated Property | |
| McVol | 65.640 | ml/mol | McGowan Calculated Property |
| Inp | [773.00; 805.00] |
|
|
| Inp | 773.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 805.00 | NIST | |
| Inp | 805.00 | NIST | |
| I | 1330.00 | NIST | |
| Tboil | [408.20; 412.50] | K |
|
| Tboil | 408.20 | K | NIST |
| Tboil | 412.50 ± 0.50 | K | NIST |
| Tfus | 225.53 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | [77.03; 182.43] | 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 | -2.45690e+01 | |||
| Coefficient B | 4.74900e-01 | |||
| Coefficient C | -4.17100e-04 | |||
| Coefficient D | 1.49200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 77.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 97.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 115.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 129.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 141.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 152.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 160.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 168.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 175.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 182.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016033; 0.0005247] | Pa×s | [227.88; 401.45] |
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 | -9.01919e+00 | |||
| Coefficient B | 5.88730e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 227.88 | |||
| Temperature range, max. | 401.45 | |||
| η | 0.0016033 | Pa×s | 227.88 | Calculated Property |
| η | 0.0013106 | Pa×s | 247.17 | Calculated Property |
| η | 0.0011031 | Pa×s | 266.45 | Calculated Property |
| η | 0.0009502 | Pa×s | 285.74 | Calculated Property |
| η | 0.0008342 | Pa×s | 305.02 | Calculated Property |
| η | 0.0007437 | Pa×s | 324.31 | Calculated Property |
| η | 0.0006717 | Pa×s | 343.59 | Calculated Property |
| η | 0.0006132 | Pa×s | 362.88 | Calculated Property |
| η | 0.0005650 | Pa×s | 382.16 | Calculated Property |
| η | 0.0005247 | Pa×s | 401.45 | Calculated Property |
Similar Compounds
Find more compounds similar to Oxirane, (bromomethyl)-.
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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