- InChI
- InChI=1S/C12H16O2/c1-8-5-9(2)12(10(3)6-8)7-14-11(4)13/h5-6H,7H2,1-4H3
- InChI Key
- KKRQFZYXQHIORO-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- CC(=O)OCc1c(C)cc(C)cc1C
- Molecular Weight1
- 192.25
- CAS
- 63548-92-5
- 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° | -100.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.72 | kJ/mol | Joback Calculated Property |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 2.675 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2407.64 | kPa | Joback Calculated Property |
| Tboil | 591.87 | K | Joback Calculated Property |
| Tc | 800.82 | K | Joback Calculated Property |
| Tfus | 361.14 | K | Joback Calculated Property |
| Vc | 0.624 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.00; 469.00] | J/mol×K | [591.87; 800.82] | 
|
| Cp,gas | 393.00 | J/mol×K | 591.87 | Joback Calculated Property |
| Cp,gas | 407.43 | J/mol×K | 626.70 | Joback Calculated Property |
| Cp,gas | 421.16 | J/mol×K | 661.52 | Joback Calculated Property |
| Cp,gas | 434.17 | J/mol×K | 696.35 | Joback Calculated Property |
| Cp,gas | 446.48 | J/mol×K | 731.17 | Joback Calculated Property |
| Cp,gas | 458.09 | J/mol×K | 766.00 | Joback Calculated Property |
| Cp,gas | 469.00 | J/mol×K | 800.82 | Joback Calculated Property |
| η | [0.0001738; 0.0010751] | Pa×s | [361.14; 591.87] |
|
| η | 0.0010751 | Pa×s | 361.14 | Joback Calculated Property |
| η | 0.0006856 | Pa×s | 399.60 | Joback Calculated Property |
| η | 0.0004732 | Pa×s | 438.05 | Joback Calculated Property |
| η | 0.0003467 | Pa×s | 476.50 | Joback Calculated Property |
| η | 0.0002661 | Pa×s | 514.96 | Joback Calculated Property |
| η | 0.0002119 | Pa×s | 553.41 | Joback Calculated Property |
| η | 0.0001738 | Pa×s | 591.87 | Joback Calculated Property |
Similar Compounds
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Sources
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