- InChI
- InChI=1S/C12H16O2/c1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
- InChI Key
- LYTZYXJGLNHQAS-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- CC(C)C1OCC(c2ccccc2)O1
- Molecular Weight1
- 192.25
- CAS
- 55668-34-3
- Other Names
-
- 1,3-Dioxolane, 2-(1-methylethyl)-4-phenyl
- 1,3-Dioxolane, 2-isopropyl-4-phenyl
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 16.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.16 | kJ/mol | Joback Calculated Property |
| log10WS | -2.84 | Crippen Calculated Property | |
| logPoct/wat | 2.757 | Crippen Calculated Property | |
| McVol | 157.060 | ml/mol | McGowan Calculated Property |
| Pc | 2764.26 | kPa | Joback Calculated Property |
| Inp | [1384.00; 1384.00] |
|
|
| Inp | 1384.00 | NIST | |
| Inp | 1384.00 | NIST | |
| I | [1900.00; 1900.00] |
|
|
| I | 1900.00 | NIST | |
| I | 1900.00 | NIST | |
| Tboil | 564.71 | K | Joback Calculated Property |
| Tc | 796.68 | K | Joback Calculated Property |
| Tfus | 296.22 | K | Joback Calculated Property |
| Vc | 0.576 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.67; 495.63] | J/mol×K | [564.71; 796.68] |
|
| Cp,gas | 398.67 | J/mol×K | 564.71 | Joback Calculated Property |
| Cp,gas | 417.91 | J/mol×K | 603.37 | Joback Calculated Property |
| Cp,gas | 435.85 | J/mol×K | 642.03 | Joback Calculated Property |
| Cp,gas | 452.53 | J/mol×K | 680.70 | Joback Calculated Property |
| Cp,gas | 468.03 | J/mol×K | 719.36 | Joback Calculated Property |
| Cp,gas | 482.37 | J/mol×K | 758.02 | Joback Calculated Property |
| Cp,gas | 495.63 | J/mol×K | 796.68 | Joback Calculated Property |
| η | [0.0003004; 0.0041016] | Pa×s | [296.22; 564.71] |
|
| η | 0.0041016 | Pa×s | 296.22 | Joback Calculated Property |
| η | 0.0019934 | Pa×s | 340.97 | Joback Calculated Property |
| η | 0.0011454 | Pa×s | 385.72 | Joback Calculated Property |
| η | 0.0007385 | Pa×s | 430.47 | Joback Calculated Property |
| η | 0.0005172 | Pa×s | 475.21 | Joback Calculated Property |
| η | 0.0003851 | Pa×s | 519.96 | Joback Calculated Property |
| η | 0.0003004 | Pa×s | 564.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to iso-Butyl aldehyde-1-phenyl-1,2-ethanediol acetal.
Sources
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