- InChI
- InChI=1S/C13H16O6/c1-18-12-6-9(2-4-11(12)16)3-5-13(17)19-8-10(15)7-14/h2-6,10,14-16H,7-8H2,1H3/b5-3+
- InChI Key
- QXRAHTFDPBQKIM-HWKANZROSA-N
- Formula
- C13H16O6
- SMILES
- COc1cc(C=CC(=O)OCC(O)CO)ccc1O
- Molecular Weight1
- 268.26
- CAS
- 120601-69-6
- Other Names
-
- Glyceryl ferulate
- 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° | -528.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -833.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.98 | kJ/mol | Joback Calculated Property |
| log10WS | -1.14 | Crippen Calculated Property | |
| logPoct/wat | 0.310 | Crippen Calculated Property | |
| McVol | 196.890 | ml/mol | McGowan Calculated Property |
| Pc | 3348.98 | kPa | Joback Calculated Property |
| Inp | [2522.70; 2522.70] |
|
|
| Inp | 2522.70 | NIST | |
| Inp | 2522.70 | NIST | |
| Tboil | 895.91 | K | Joback Calculated Property |
| Tc | 1104.89 | K | Joback Calculated Property |
| Tfus | 582.88 | K | Joback Calculated Property |
| Vc | 0.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.68; 648.92] | J/mol×K | [895.91; 1104.89] |
|
| Cp,gas | 596.68 | J/mol×K | 895.91 | Joback Calculated Property |
| Cp,gas | 606.30 | J/mol×K | 930.74 | Joback Calculated Property |
| Cp,gas | 615.48 | J/mol×K | 965.57 | Joback Calculated Property |
| Cp,gas | 624.28 | J/mol×K | 1000.40 | Joback Calculated Property |
| Cp,gas | 632.75 | J/mol×K | 1035.23 | Joback Calculated Property |
| Cp,gas | 640.94 | J/mol×K | 1070.06 | Joback Calculated Property |
| Cp,gas | 648.92 | J/mol×K | 1104.89 | Joback Calculated Property |
| η | [0.0000001; 0.0000128] | Pa×s | [582.88; 895.91] |
|
| η | 0.0000128 | Pa×s | 582.88 | Joback Calculated Property |
| η | 0.0000042 | Pa×s | 635.05 | Joback Calculated Property |
| η | 0.0000016 | Pa×s | 687.22 | Joback Calculated Property |
| η | 0.0000007 | Pa×s | 739.39 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 791.57 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 843.74 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 895.91 | Joback Calculated Property |
Similar Compounds
Sources
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