- InChI
- InChI=1S/C9H10O/c1-9(7-10-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
- InChI Key
- MRXPNWXSFCODDY-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- CC1(c2ccccc2)CO1
- Molecular Weight1
- 134.18
- CAS
- 2085-88-3
- Other Names
-
- Cumene, «alpha»,«beta»-epoxy-
- «alpha»-Methylstyrene oxide
- «alpha»-Methylstyrene epoxide
- Benzene, (1,2-epoxy-1-methylethyl)-
- Propane, 1,2-epoxy-2-phenyl-
- Propylene oxide, 2-phenyl-
- 1-Methyl-1-phenyloxirane
- 2-Phenyl-1,2-epoxypropane
- 2-Phenylpropene oxide
- Cumol, «alpha»,«beta»-epoxy-
- 2-Methyl-2-phenyloxirane
- «alpha»-methylepoxystyrene
- 2-Phenyl-2-methyloxirane
- NSC 36616
- NSC 51065
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Ip : Polar retention indices.
- 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 | -32.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.92 | kJ/mol | Joback Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.932 | Crippen Calculated Property | |
| McVol | 108.920 | ml/mol | McGowan Calculated Property |
| Ip | [1665.50; 1666.30] |
|
|
| Ip | 1665.50 | NIST | |
| Ip | 1666.30 | NIST | |
| Ip | 1665.50 | NIST | |
| Tboil | 453.77 | K | Relay (1.0) Calculated Property |
| Tfus | 244.35 | 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 | [129.14; 371.71] | 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 | -1.22110e+02 | |||
| Coefficient B | 1.21972e+00 | |||
| Coefficient C | -1.23590e-03 | |||
| Coefficient D | 5.10000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 129.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 216.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 248.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 273.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 295.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 314.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 332.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 350.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 371.71 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Oxirane, 2-methyl-2-phenyl-.
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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