- InChI
- InChI=1S/C11H14O5/c1-6(12)9-7(14-2)5-8(15-3)11(16-4)10(9)13/h5,13H,1-4H3
- InChI Key
- WLTFZNFPHXCIAO-UHFFFAOYSA-N
- Formula
- C11H14O5
- SMILES
- COc1cc(OC)c(C(C)=O)c(O)c1OC
- Molecular Weight1
- 226.23
- 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° | -473.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -754.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.33 | kJ/mol | Joback Calculated Property |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 1.621 | Crippen Calculated Property | |
| McVol | 167.140 | ml/mol | McGowan Calculated Property |
| Pc | 2995.87 | kPa | Joback Calculated Property |
| Inp | [1785.00; 1785.00] |
|
|
| Inp | 1785.00 | NIST | |
| Inp | 1785.00 | NIST | |
| Tboil | 694.45 | K | Joback Calculated Property |
| Tc | 911.29 | K | Joback Calculated Property |
| Tfus | 506.05 | K | Joback Calculated Property |
| Vc | 0.570 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.63; 506.61] | J/mol×K | [694.45; 911.29] |
|
| Cp,gas | 443.63 | J/mol×K | 694.45 | Joback Calculated Property |
| Cp,gas | 455.69 | J/mol×K | 730.59 | Joback Calculated Property |
| Cp,gas | 467.11 | J/mol×K | 766.73 | Joback Calculated Property |
| Cp,gas | 477.90 | J/mol×K | 802.87 | Joback Calculated Property |
| Cp,gas | 488.08 | J/mol×K | 839.01 | Joback Calculated Property |
| Cp,gas | 497.65 | J/mol×K | 875.15 | Joback Calculated Property |
| Cp,gas | 506.61 | J/mol×K | 911.29 | Joback Calculated Property |
| η | [0.0000117; 0.0001207] | Pa×s | [506.05; 694.45] |
|
| η | 0.0001207 | Pa×s | 506.05 | Joback Calculated Property |
| η | 0.0000730 | Pa×s | 537.45 | Joback Calculated Property |
| η | 0.0000467 | Pa×s | 568.85 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 600.25 | Joback Calculated Property |
| η | 0.0000218 | Pa×s | 631.65 | Joback Calculated Property |
| η | 0.0000158 | Pa×s | 663.05 | Joback Calculated Property |
| η | 0.0000117 | Pa×s | 694.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-hydroxyl-3,4,6-trimethoxy-acetophenone.
Sources
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