- InChI
- InChI=1S/C16H24O2/c1-3-4-5-9-12-16(2)17-13-15(18-16)14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3
- InChI Key
- ZYMAQLGBEVTHJC-UHFFFAOYSA-N
- Formula
- C16H24O2
- SMILES
- CCCCCCC1(C)OCC(c2ccccc2)O1
- Molecular Weight1
- 248.36
- Other Names
-
- 1,3-Dioxolane, 2-methyl-2-hexyl-4-phenyl, # 2
- 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 | 0.5508 | Relay (1.0) Calculated Property | |
| ΔfG° | 47.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.461 | Crippen Calculated Property | |
| McVol | 213.420 | ml/mol | McGowan Calculated Property |
| Pc | 1977.07 | kPa | Joback Calculated Property |
| Inp | [1758.00; 1758.00] |
|
|
| Inp | 1758.00 | NIST | |
| Inp | 1758.00 | NIST | |
| I | [2248.00; 2248.00] |
|
|
| I | 2248.00 | NIST | |
| I | 2248.00 | NIST | |
| Tboil | 566.15 | K | Relay (1.0) Calculated Property |
| Tc | 783.39 | K | Relay (1.0) Calculated Property |
| Tfus | 273.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.812 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.73; 710.47] | J/mol×K | [656.91; 875.90] |
|
| Cp,gas | 603.73 | J/mol×K | 656.91 | Joback Calculated Property |
| Cp,gas | 623.84 | J/mol×K | 693.41 | Joback Calculated Property |
| Cp,gas | 642.84 | J/mol×K | 729.91 | Joback Calculated Property |
| Cp,gas | 660.85 | J/mol×K | 766.40 | Joback Calculated Property |
| Cp,gas | 678.03 | J/mol×K | 802.90 | Joback Calculated Property |
| Cp,gas | 694.52 | J/mol×K | 839.40 | Joback Calculated Property |
| Cp,gas | 710.47 | J/mol×K | 875.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl n-hexyl ketone-1-phenyl-1,2-ethanediol ketal 2.
Sources
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