- InChI
- InChI=1S/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+
- InChI Key
- JQLASNFFJHGQTK-VOTSOKGWSA-N
- Formula
- C11H12O2
- SMILES
- C(=CC1OCCO1)c1ccccc1
- Molecular Weight1
- 176.21
- 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 | -144.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.073 | Crippen Calculated Property | |
| McVol | 138.670 | ml/mol | McGowan Calculated Property |
| Inp | [1513.00; 1513.00] |
|
|
| Inp | 1513.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Tboil | 526.63 | K | Relay (1.0) Calculated Property |
| Tfus | 322.22 | 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 | [330.10; 414.60] | J/mol×K | [551.30; 793.71] |
|
| Cp,gas | 330.10 | J/mol×K | 551.30 | Joback Calculated Property |
| Cp,gas | 347.23 | J/mol×K | 591.70 | Joback Calculated Property |
| Cp,gas | 363.03 | J/mol×K | 632.10 | Joback Calculated Property |
| Cp,gas | 377.58 | J/mol×K | 672.51 | Joback Calculated Property |
| Cp,gas | 390.97 | J/mol×K | 712.91 | Joback Calculated Property |
| Cp,gas | 403.28 | J/mol×K | 753.31 | Joback Calculated Property |
| Cp,gas | 414.60 | J/mol×K | 793.71 | Joback Calculated Property |
| η | [0.0002632; 0.0036566] | Pa×s | [299.11; 551.30] |
|
| η | 0.0036566 | Pa×s | 299.11 | Joback Calculated Property |
| η | 0.0018001 | Pa×s | 341.14 | Joback Calculated Property |
| η | 0.0010352 | Pa×s | 383.17 | Joback Calculated Property |
| η | 0.0006641 | Pa×s | 425.20 | Joback Calculated Property |
| η | 0.0004615 | Pa×s | 467.24 | Joback Calculated Property |
| η | 0.0003406 | Pa×s | 509.27 | Joback Calculated Property |
| η | 0.0002632 | Pa×s | 551.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxolane, 2-(2-phenylethenyl), (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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