- InChI
- InChI=1S/C12H16O/c1-8(2)11-6-5-9(3)12(7-11)10(4)13/h5-8H,1-4H3
- InChI Key
- LVNVQCXLRILPCM-UHFFFAOYSA-N
- Formula
- C12H16O
- SMILES
- CC(=O)c1cc(C(C)C)ccc1C
- Molecular Weight1
- 176.25
- Other Names
-
- Acetophenone, 2'-methyl-5'-isopropyl
- 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.
- 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° | 11.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.79 | Crippen Calculated Property | |
| logPoct/wat | 3.321 | Crippen Calculated Property | |
| McVol | 157.750 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | [1358.00; 1381.00] |
|
|
| Inp | 1358.00 | NIST | |
| Inp | 1381.00 | NIST | |
| I | [1876.00; 1928.00] |
|
|
| I | 1876.00 | NIST | |
| I | 1928.00 | NIST | |
| I | 1876.00 | NIST | |
| Tboil | 564.03 | K | Joback Calculated Property |
| Tc | 778.76 | K | Joback Calculated Property |
| Tfus | 311.39 | K | Joback Calculated Property |
| Vc | 0.600 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.54; 448.33] | J/mol×K | [564.03; 778.76] |
|
| Cp,gas | 368.54 | J/mol×K | 564.03 | Joback Calculated Property |
| Cp,gas | 383.90 | J/mol×K | 599.82 | Joback Calculated Property |
| Cp,gas | 398.39 | J/mol×K | 635.61 | Joback Calculated Property |
| Cp,gas | 412.05 | J/mol×K | 671.39 | Joback Calculated Property |
| Cp,gas | 424.91 | J/mol×K | 707.18 | Joback Calculated Property |
| Cp,gas | 436.99 | J/mol×K | 742.97 | Joback Calculated Property |
| Cp,gas | 448.33 | J/mol×K | 778.76 | Joback Calculated Property |
| η | [0.0002026; 0.0021912] | Pa×s | [311.39; 564.03] |
|
| η | 0.0021912 | Pa×s | 311.39 | Joback Calculated Property |
| η | 0.0011633 | Pa×s | 353.50 | Joback Calculated Property |
| η | 0.0007067 | Pa×s | 395.60 | Joback Calculated Property |
| η | 0.0004725 | Pa×s | 437.71 | Joback Calculated Property |
| η | 0.0003391 | Pa×s | 479.82 | Joback Calculated Property |
| η | 0.0002567 | Pa×s | 521.92 | Joback Calculated Property |
| η | 0.0002026 | Pa×s | 564.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetyl cymene.
Sources
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