- InChI
- InChI=1S/C13H18O2/c1-10(13(2,3)4)15-12(14)11-8-6-5-7-9-11/h5-10H,1-4H3
- InChI Key
- FDEANYZLSJVGGW-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- CC(OC(=O)c1ccccc1)C(C)(C)C
- Molecular Weight1
- 206.28
- 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.
- 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° | -62.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.68 | Crippen Calculated Property | |
| logPoct/wat | 3.278 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| Inp | 1446.00 | NIST | |
| Tboil | 596.14 | K | Joback Calculated Property |
| Tc | 815.50 | K | Joback Calculated Property |
| Tfus | 322.27 | K | Joback Calculated Property |
| Vc | 0.662 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.87; 533.25] | J/mol×K | [596.14; 815.50] | 
|
| Cp,gas | 446.87 | J/mol×K | 596.14 | Joback Calculated Property |
| Cp,gas | 463.94 | J/mol×K | 632.70 | Joback Calculated Property |
| Cp,gas | 479.86 | J/mol×K | 669.26 | Joback Calculated Property |
| Cp,gas | 494.71 | J/mol×K | 705.82 | Joback Calculated Property |
| Cp,gas | 508.52 | J/mol×K | 742.38 | Joback Calculated Property |
| Cp,gas | 521.35 | J/mol×K | 778.94 | Joback Calculated Property |
| Cp,gas | 533.25 | J/mol×K | 815.50 | Joback Calculated Property |
| η | [0.0001400; 0.0032898] | Pa×s | [322.27; 596.14] |
|
| η | 0.0032898 | Pa×s | 322.27 | Joback Calculated Property |
| η | 0.0014025 | Pa×s | 367.91 | Joback Calculated Property |
| η | 0.0007218 | Pa×s | 413.56 | Joback Calculated Property |
| η | 0.0004239 | Pa×s | 459.20 | Joback Calculated Property |
| η | 0.0002741 | Pa×s | 504.85 | Joback Calculated Property |
| η | 0.0001905 | Pa×s | 550.50 | Joback Calculated Property |
| η | 0.0001400 | Pa×s | 596.14 | Joback Calculated Property |
Similar Compounds
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Sources
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