- InChI
- InChI=1S/C12H18O2/c1-8-5-9(7-13)11(14)10(6-8)12(2,3)4/h5-6,13-14H,7H2,1-4H3
- InChI Key
- OVXVAICEGAXQFZ-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- Cc1cc(CO)c(O)c(C(C)(C)C)c1
- Molecular Weight1
- 194.27
- 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° | -145.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -415.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.30 | kJ/mol | Joback Calculated Property |
| log10WS | -2.95 | Crippen Calculated Property | |
| logPoct/wat | 2.490 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Pc | 3055.79 | kPa | Joback Calculated Property |
| Inp | 1544.00 | NIST | |
| Tboil | 680.17 | K | Joback Calculated Property |
| Tc | 889.74 | K | Joback Calculated Property |
| Tfus | 451.42 | K | Joback Calculated Property |
| Vc | 0.574 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.65; 527.34] | J/mol×K | [680.17; 889.74] | 
|
| Cp,gas | 461.65 | J/mol×K | 680.17 | Joback Calculated Property |
| Cp,gas | 474.12 | J/mol×K | 715.10 | Joback Calculated Property |
| Cp,gas | 485.87 | J/mol×K | 750.03 | Joback Calculated Property |
| Cp,gas | 496.98 | J/mol×K | 784.96 | Joback Calculated Property |
| Cp,gas | 507.55 | J/mol×K | 819.89 | Joback Calculated Property |
| Cp,gas | 517.64 | J/mol×K | 854.81 | Joback Calculated Property |
| Cp,gas | 527.34 | J/mol×K | 889.74 | Joback Calculated Property |
| η | [0.0000049; 0.0003777] | Pa×s | [451.42; 680.17] |
|
| η | 0.0003777 | Pa×s | 451.42 | Joback Calculated Property |
| η | 0.0001378 | Pa×s | 489.54 | Joback Calculated Property |
| η | 0.0000582 | Pa×s | 527.67 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 565.79 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 603.92 | Joback Calculated Property |
| η | 0.0000081 | Pa×s | 642.04 | Joback Calculated Property |
| η | 0.0000049 | Pa×s | 680.17 | Joback Calculated Property |
Similar Compounds
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Sources
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