- InChI
- InChI=1S/C11H14O/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
- InChI Key
- VNOSMVIVSUHSPU-CMDGGOBGSA-N
- Formula
- C11H14O
- SMILES
- CC(C)OC=Cc1ccccc1
- Molecular Weight1
- 162.23
- 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).
- Inp : Non-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 | -96.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.082 | Crippen Calculated Property | |
| McVol | 143.660 | ml/mol | McGowan Calculated Property |
| Inp | [1274.00; 1274.00] |
|
|
| Inp | 1274.00 | NIST | |
| Inp | 1274.00 | NIST | |
| Tboil | 478.16 | K | Relay (1.0) Calculated Property |
| Tfus | 266.19 | 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 | [308.51; 389.42] | J/mol×K | [504.10; 718.90] |
|
| Cp,gas | 308.51 | J/mol×K | 504.10 | Joback Calculated Property |
| Cp,gas | 324.17 | J/mol×K | 539.90 | Joback Calculated Property |
| Cp,gas | 338.91 | J/mol×K | 575.70 | Joback Calculated Property |
| Cp,gas | 352.77 | J/mol×K | 611.50 | Joback Calculated Property |
| Cp,gas | 365.78 | J/mol×K | 647.30 | Joback Calculated Property |
| Cp,gas | 377.99 | J/mol×K | 683.10 | Joback Calculated Property |
| Cp,gas | 389.42 | J/mol×K | 718.90 | Joback Calculated Property |
| η | [0.0001470; 0.0037869] | Pa×s | [242.30; 504.10] |
|
| η | 0.0037869 | Pa×s | 242.30 | Joback Calculated Property |
| η | 0.0014578 | Pa×s | 285.93 | Joback Calculated Property |
| η | 0.0007226 | Pa×s | 329.57 | Joback Calculated Property |
| η | 0.0004220 | Pa×s | 373.20 | Joback Calculated Property |
| η | 0.0002759 | Pa×s | 416.83 | Joback Calculated Property |
| η | 0.0001955 | Pa×s | 460.47 | Joback Calculated Property |
| η | 0.0001470 | Pa×s | 504.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Isopropoxystyrene, (E).
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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