- InChI
- InChI=1S/C12H16O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6H,1-5H3
- InChI Key
- RWOZGGOKRKSHKN-UHFFFAOYSA-N
- Formula
- C12H16O
- SMILES
- Cc1c(C)c(C)c(C=O)c(C)c1C
- Molecular Weight1
- 176.25
- CAS
- 17432-38-1
- 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° | 14.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -197.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 3.041 | Crippen Calculated Property | |
| McVol | 157.750 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Tboil | 574.20 | K | Joback Calculated Property |
| Tc | 782.62 | K | Joback Calculated Property |
| Tfus | 356.02 | K | Joback Calculated Property |
| Vc | 0.617 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.95; 441.52] | J/mol×K | [574.20; 782.62] | 
|
| Cp,gas | 367.95 | J/mol×K | 574.20 | Joback Calculated Property |
| Cp,gas | 381.77 | J/mol×K | 608.94 | Joback Calculated Property |
| Cp,gas | 394.96 | J/mol×K | 643.67 | Joback Calculated Property |
| Cp,gas | 407.52 | J/mol×K | 678.41 | Joback Calculated Property |
| Cp,gas | 419.46 | J/mol×K | 713.15 | Joback Calculated Property |
| Cp,gas | 430.79 | J/mol×K | 747.88 | Joback Calculated Property |
| Cp,gas | 441.52 | J/mol×K | 782.62 | Joback Calculated Property |
| η | [0.0002226; 0.0010025] | Pa×s | [356.02; 574.20] |
|
| η | 0.0010025 | Pa×s | 356.02 | Joback Calculated Property |
| η | 0.0006945 | Pa×s | 392.38 | Joback Calculated Property |
| η | 0.0005120 | Pa×s | 428.75 | Joback Calculated Property |
| η | 0.0003959 | Pa×s | 465.11 | Joback Calculated Property |
| η | 0.0003178 | Pa×s | 501.47 | Joback Calculated Property |
| η | 0.0002628 | Pa×s | 537.84 | Joback Calculated Property |
| η | 0.0002226 | Pa×s | 574.20 | Joback Calculated Property |
Similar Compounds
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Sources
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