- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5579 | Relay (1.0) Calculated Property | |
| ΔfG° | -176.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.675 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2313.61 | kPa | Joback Calculated Property |
| Tboil | 531.44 | K | Relay (1.0) Calculated Property |
| Tc | 743.13 | K | Relay (1.0) Calculated Property |
| Tfus | 281.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.598 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.46; 465.55] | J/mol×K | [574.00; 780.64] | 
|
| Cp,gas | 388.46 | J/mol×K | 574.00 | Joback Calculated Property |
| Cp,gas | 403.18 | J/mol×K | 608.44 | Joback Calculated Property |
| Cp,gas | 417.14 | J/mol×K | 642.88 | Joback Calculated Property |
| Cp,gas | 430.35 | J/mol×K | 677.32 | Joback Calculated Property |
| Cp,gas | 442.81 | J/mol×K | 711.76 | Joback Calculated Property |
| Cp,gas | 454.54 | J/mol×K | 746.20 | Joback Calculated Property |
| Cp,gas | 465.55 | J/mol×K | 780.64 | Joback Calculated Property |
| η | [0.0001566; 0.0013883] | Pa×s | [331.31; 574.00] |
|
| η | 0.0013883 | Pa×s | 331.31 | Joback Calculated Property |
| η | 0.0007918 | Pa×s | 371.76 | Joback Calculated Property |
| η | 0.0005043 | Pa×s | 412.21 | Joback Calculated Property |
| η | 0.0003481 | Pa×s | 452.65 | Joback Calculated Property |
| η | 0.0002553 | Pa×s | 493.10 | Joback Calculated Property |
| η | 0.0001963 | Pa×s | 533.55 | Joback Calculated Property |
| η | 0.0001566 | Pa×s | 574.00 | Joback Calculated Property |
Similar Compounds
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Sources
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