- InChI
- InChI=1S/C12H16O4/c1-5-9(13)8-6-11(15-3)12(16-4)7-10(8)14-2/h6-7H,5H2,1-4H3
- InChI Key
- KUQHFNICKXWOBZ-UHFFFAOYSA-N
- Formula
- C12H16O4
- SMILES
- CCC(=O)c1cc(OC)c(OC)cc1OC
- Molecular Weight1
- 224.25
- CAS
- 3904-18-5
- 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° | -310.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -598.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.54 | kJ/mol | Joback Calculated Property |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.305 | Crippen Calculated Property | |
| McVol | 175.360 | ml/mol | McGowan Calculated Property |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Inp | 1828.50 | NIST | |
| Tboil | 636.71 | K | Joback Calculated Property |
| Tc | 841.45 | K | Joback Calculated Property |
| Tfus | 405.60 | K | Joback Calculated Property |
| Vc | 0.659 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.68; 517.39] | J/mol×K | [636.71; 841.45] | 
|
| Cp,gas | 443.68 | J/mol×K | 636.71 | Joback Calculated Property |
| Cp,gas | 457.73 | J/mol×K | 670.83 | Joback Calculated Property |
| Cp,gas | 471.10 | J/mol×K | 704.96 | Joback Calculated Property |
| Cp,gas | 483.78 | J/mol×K | 739.08 | Joback Calculated Property |
| Cp,gas | 495.73 | J/mol×K | 773.20 | Joback Calculated Property |
| Cp,gas | 506.94 | J/mol×K | 807.33 | Joback Calculated Property |
| Cp,gas | 517.39 | J/mol×K | 841.45 | Joback Calculated Property |
| η | [0.0001124; 0.0006338] | Pa×s | [405.60; 636.71] |
|
| η | 0.0006338 | Pa×s | 405.60 | Joback Calculated Property |
| η | 0.0004193 | Pa×s | 444.12 | Joback Calculated Property |
| η | 0.0002963 | Pa×s | 482.64 | Joback Calculated Property |
| η | 0.0002204 | Pa×s | 521.15 | Joback Calculated Property |
| η | 0.0001707 | Pa×s | 559.67 | Joback Calculated Property |
| η | 0.0001367 | Pa×s | 598.19 | Joback Calculated Property |
| η | 0.0001124 | Pa×s | 636.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(2,4,5-Trimethoxyphenyl)propan-1-one.
Sources
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