- InChI
- InChI=1S/C12H18O/c1-9(2)12-6-4-5-11(8-12)7-10(3)13/h4-6,8-10,13H,7H2,1-3H3
- InChI Key
- PTCONCVHDYBONT-UHFFFAOYSA-N
- Formula
- C12H18O
- SMILES
- CC(O)Cc1cccc(C(C)C)c1
- Molecular Weight1
- 178.27
- 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).
- I : 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° | 11.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.15 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 2.733 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2640.67 | kPa | Joback Calculated Property |
| I | [1918.00; 1918.00] |
|
|
| I | 1918.00 | NIST | |
| I | 1918.00 | NIST | |
| Tboil | 596.92 | K | Joback Calculated Property |
| Tc | 792.94 | K | Joback Calculated Property |
| Tfus | 294.76 | K | Joback Calculated Property |
| Vc | 0.607 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.35; 482.09] | J/mol×K | [596.92; 792.94] |
|
| Cp,gas | 407.35 | J/mol×K | 596.92 | Joback Calculated Property |
| Cp,gas | 421.65 | J/mol×K | 629.59 | Joback Calculated Property |
| Cp,gas | 435.17 | J/mol×K | 662.26 | Joback Calculated Property |
| Cp,gas | 447.95 | J/mol×K | 694.93 | Joback Calculated Property |
| Cp,gas | 460.01 | J/mol×K | 727.60 | Joback Calculated Property |
| Cp,gas | 471.38 | J/mol×K | 760.27 | Joback Calculated Property |
| Cp,gas | 482.09 | J/mol×K | 792.94 | Joback Calculated Property |
| η | [0.0000644; 0.0161608] | Pa×s | [294.76; 596.92] |
|
| η | 0.0161608 | Pa×s | 294.76 | Joback Calculated Property |
| η | 0.0032859 | Pa×s | 345.12 | Joback Calculated Property |
| η | 0.0010024 | Pa×s | 395.48 | Joback Calculated Property |
| η | 0.0003999 | Pa×s | 445.84 | Joback Calculated Property |
| η | 0.0001922 | Pa×s | 496.20 | Joback Calculated Property |
| η | 0.0001058 | Pa×s | 546.56 | Joback Calculated Property |
| η | 0.0000644 | Pa×s | 596.92 | Joback Calculated Property |
Similar Compounds
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Sources
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