- InChI
- InChI=1S/C11H14O2/c1-11(2)12-8-10(13-11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
- InChI Key
- SFDXYHMRHIVYET-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CC1(C)OCC(c2ccccc2)O1
- Molecular Weight1
- 178.23
- CAS
- 52129-03-0
- Other Names
-
- 1,3-Dioxolane, 2,2-dimethyl-4-phenyl
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3553 | Relay (1.0) Calculated Property | |
| ΔfG° | 5.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.511 | Crippen Calculated Property | |
| McVol | 142.970 | ml/mol | McGowan Calculated Property |
| Pc | 3195.54 | kPa | Joback Calculated Property |
| Inp | [1260.00; 1260.00] |
|
|
| Inp | 1260.00 | NIST | |
| Inp | 1260.00 | NIST | |
| I | 1766.00 | NIST | |
| Tboil | 491.26 | K | Relay (1.0) Calculated Property |
| Tc | 715.28 | K | Relay (1.0) Calculated Property |
| Tfus | 286.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.547 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.20; 439.81] | J/mol×K | [542.51; 783.75] |
|
| Cp,gas | 349.20 | J/mol×K | 542.51 | Joback Calculated Property |
| Cp,gas | 367.12 | J/mol×K | 582.72 | Joback Calculated Property |
| Cp,gas | 383.68 | J/mol×K | 622.92 | Joback Calculated Property |
| Cp,gas | 399.06 | J/mol×K | 663.13 | Joback Calculated Property |
| Cp,gas | 413.43 | J/mol×K | 703.34 | Joback Calculated Property |
| Cp,gas | 426.95 | J/mol×K | 743.54 | Joback Calculated Property |
| Cp,gas | 439.81 | J/mol×K | 783.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetone-1-phenyl 1,2-ethandiol ketal.
Sources
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