- InChI
- InChI=1S/C15H22O2/c1-5-17-15(16)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3
- InChI Key
- HXTFUVWJFLDLJP-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- CCOC(=O)C(C)c1ccc(CC(C)C)cc1
- Molecular Weight1
- 234.33
- 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° | -60.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.30 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 3.552 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 1923.67 | kPa | Joback Calculated Property |
| Inp | [1347.00; 1347.00] |
|
|
| Inp | 1347.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Tboil | 649.67 | K | Joback Calculated Property |
| Tc | 855.34 | K | Joback Calculated Property |
| Tfus | 339.91 | K | Joback Calculated Property |
| Vc | 0.779 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.01; 636.37] | J/mol×K | [649.67; 855.34] |
|
| Cp,gas | 547.01 | J/mol×K | 649.67 | Joback Calculated Property |
| Cp,gas | 564.30 | J/mol×K | 683.95 | Joback Calculated Property |
| Cp,gas | 580.59 | J/mol×K | 718.23 | Joback Calculated Property |
| Cp,gas | 595.92 | J/mol×K | 752.51 | Joback Calculated Property |
| Cp,gas | 610.31 | J/mol×K | 786.79 | Joback Calculated Property |
| Cp,gas | 623.79 | J/mol×K | 821.07 | Joback Calculated Property |
| Cp,gas | 636.37 | J/mol×K | 855.34 | Joback Calculated Property |
| η | [0.0001165; 0.0023739] | Pa×s | [339.91; 649.67] |
|
| η | 0.0023739 | Pa×s | 339.91 | Joback Calculated Property |
| η | 0.0010314 | Pa×s | 391.54 | Joback Calculated Property |
| η | 0.0005442 | Pa×s | 443.16 | Joback Calculated Property |
| η | 0.0003281 | Pa×s | 494.79 | Joback Calculated Property |
| η | 0.0002177 | Pa×s | 546.42 | Joback Calculated Property |
| η | 0.0001550 | Pa×s | 598.04 | Joback Calculated Property |
| η | 0.0001165 | Pa×s | 649.67 | Joback Calculated Property |
Similar Compounds
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Sources
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