- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.66; 456.76] | 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 | -3.13800e+01 | |||
| Coefficient B | 9.32640e-01 | |||
| Coefficient C | -5.81800e-04 | |||
| Coefficient D | 1.37300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 182.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 231.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 275.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 313.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 346.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 375.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 400.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 422.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 440.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 456.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037869; 0.0001478] | Pa×s | [242.30; 503.23] |
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 | -1.18320e+01 | |||
| Coefficient B | 1.51577e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 242.30 | |||
| Temperature range, max. | 503.23 | |||
| η | 0.0037869 | Pa×s | 242.30 | Calculated Property |
| η | 0.0019406 | Pa×s | 271.29 | Calculated Property |
| η | 0.0011315 | Pa×s | 300.29 | Calculated Property |
| η | 0.0007255 | Pa×s | 329.28 | Calculated Property |
| η | 0.0004999 | Pa×s | 358.27 | Calculated Property |
| η | 0.0003642 | Pa×s | 387.26 | Calculated Property |
| η | 0.0002773 | Pa×s | 416.26 | Calculated Property |
| η | 0.0002187 | Pa×s | 445.25 | Calculated Property |
| η | 0.0001776 | Pa×s | 474.24 | Calculated Property |
| η | 0.0001478 | Pa×s | 503.23 | 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
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