- InChI
- InChI=1S/C12H18O2/c1-10(2)8-14-9-11-6-4-5-7-12(11)13-3/h4-7,10H,8-9H2,1-3H3
- InChI Key
- SAHQWLNZCJVIOC-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- COc1ccccc1COCC(C)C
- 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° | -59.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -335.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.68 | kJ/mol | Joback Calculated Property |
| log10WS | -2.99 | Crippen Calculated Property | |
| logPoct/wat | 2.868 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | 1430.00 | NIST | |
| Tboil | 550.02 | K | Joback Calculated Property |
| Tc | 751.26 | K | Joback Calculated Property |
| Tfus | 293.40 | K | Joback Calculated Property |
| Vc | 0.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.86; 484.61] | J/mol×K | [550.02; 751.26] | 
|
| Cp,gas | 398.86 | J/mol×K | 550.02 | Joback Calculated Property |
| Cp,gas | 415.03 | J/mol×K | 583.56 | Joback Calculated Property |
| Cp,gas | 430.43 | J/mol×K | 617.10 | Joback Calculated Property |
| Cp,gas | 445.09 | J/mol×K | 650.64 | Joback Calculated Property |
| Cp,gas | 459.00 | J/mol×K | 684.18 | Joback Calculated Property |
| Cp,gas | 472.18 | J/mol×K | 717.72 | Joback Calculated Property |
| Cp,gas | 484.61 | J/mol×K | 751.26 | Joback Calculated Property |
| η | [0.0001287; 0.0019359] | Pa×s | [293.40; 550.02] |
|
| η | 0.0019359 | Pa×s | 293.40 | Joback Calculated Property |
| η | 0.0009244 | Pa×s | 336.17 | Joback Calculated Property |
| η | 0.0005216 | Pa×s | 378.94 | Joback Calculated Property |
| η | 0.0003305 | Pa×s | 421.71 | Joback Calculated Property |
| η | 0.0002278 | Pa×s | 464.48 | Joback Calculated Property |
| η | 0.0001672 | Pa×s | 507.25 | Joback Calculated Property |
| η | 0.0001287 | Pa×s | 550.02 | Joback Calculated Property |
Similar Compounds
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Sources
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