- InChI
- InChI=1S/C11H14O2/c1-3-8(2)9-4-5-11(13)10(6-9)7-12/h4-8,13H,3H2,1-2H3
- InChI Key
- KKECZRYVNIFRRC-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCC(C)c1ccc(O)c(C=O)c1
- Molecular Weight1
- 178.23
- CAS
- 59893-28-6
- 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).
- 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° | -112.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 2.718 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 3352.86 | kPa | Joback Calculated Property |
| Tboil | 611.58 | K | Joback Calculated Property |
| Tc | 834.42 | K | Joback Calculated Property |
| Tfus | 391.39 | K | Joback Calculated Property |
| Vc | 0.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.84; 441.16] | J/mol×K | [611.58; 834.42] | 
|
| Cp,gas | 374.84 | J/mol×K | 611.58 | Joback Calculated Property |
| Cp,gas | 387.73 | J/mol×K | 648.72 | Joback Calculated Property |
| Cp,gas | 399.78 | J/mol×K | 685.86 | Joback Calculated Property |
| Cp,gas | 411.07 | J/mol×K | 723.00 | Joback Calculated Property |
| Cp,gas | 421.68 | J/mol×K | 760.14 | Joback Calculated Property |
| Cp,gas | 431.69 | J/mol×K | 797.28 | Joback Calculated Property |
| Cp,gas | 441.16 | J/mol×K | 834.42 | Joback Calculated Property |
| η | [0.0000369; 0.0015601] | Pa×s | [391.39; 611.58] |
|
| η | 0.0015601 | Pa×s | 391.39 | Joback Calculated Property |
| η | 0.0006395 | Pa×s | 428.09 | Joback Calculated Property |
| η | 0.0003018 | Pa×s | 464.79 | Joback Calculated Property |
| η | 0.0001590 | Pa×s | 501.49 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 538.18 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 574.88 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 611.58 | Joback Calculated Property |
Similar Compounds
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Sources
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