- InChI
- InChI=1S/C13H18O4/c1-8(2)12(14)9-6-10(15-3)13(17-5)11(7-9)16-4/h6-8H,1-5H3
- InChI Key
- WCOTWXLJGZKQQE-UHFFFAOYSA-N
- Formula
- C13H18O4
- SMILES
- COc1cc(C(=O)C(C)C)cc(OC)c1OC
- Molecular Weight1
- 238.28
- 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.
- 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° | -304.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.38 | kJ/mol | Joback Calculated Property |
| log10WS | -3.09 | Crippen Calculated Property | |
| logPoct/wat | 2.551 | Crippen Calculated Property | |
| McVol | 189.450 | ml/mol | McGowan Calculated Property |
| Pc | 2143.35 | kPa | Joback Calculated Property |
| Inp | [1790.00; 1790.00] |
|
|
| Inp | 1790.00 | NIST | |
| Inp | 1790.00 | NIST | |
| Tboil | 659.15 | K | Joback Calculated Property |
| Tc | 864.76 | K | Joback Calculated Property |
| Tfus | 401.87 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.17; 573.06] | J/mol×K | [659.15; 864.76] |
|
| Cp,gas | 495.17 | J/mol×K | 659.15 | Joback Calculated Property |
| Cp,gas | 510.15 | J/mol×K | 693.42 | Joback Calculated Property |
| Cp,gas | 524.36 | J/mol×K | 727.69 | Joback Calculated Property |
| Cp,gas | 537.78 | J/mol×K | 761.95 | Joback Calculated Property |
| Cp,gas | 550.38 | J/mol×K | 796.22 | Joback Calculated Property |
| Cp,gas | 562.14 | J/mol×K | 830.49 | Joback Calculated Property |
| Cp,gas | 573.06 | J/mol×K | 864.76 | Joback Calculated Property |
| η | [0.0000943; 0.0007007] | Pa×s | [401.87; 659.15] |
|
| η | 0.0007007 | Pa×s | 401.87 | Joback Calculated Property |
| η | 0.0004270 | Pa×s | 444.75 | Joback Calculated Property |
| η | 0.0002839 | Pa×s | 487.63 | Joback Calculated Property |
| η | 0.0002016 | Pa×s | 530.51 | Joback Calculated Property |
| η | 0.0001507 | Pa×s | 573.39 | Joback Calculated Property |
| η | 0.0001173 | Pa×s | 616.27 | Joback Calculated Property |
| η | 0.0000943 | Pa×s | 659.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl 3,4,5-trimethoxyphenyl ketone.
Sources
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