- InChI
- InChI=1S/C11H7F5O4/c1-19-8-4-6(5-17)2-3-7(8)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3
- InChI Key
- TWLVCWDHNWXSQR-UHFFFAOYSA-N
- Formula
- C11H7F5O4
- SMILES
-
COc1cc(C=O)ccc1OC(=O)C(F)(F)C(
F)(F)F - Molecular Weight1
- 298.16
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -1271.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1517.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 2.611 | Crippen Calculated Property | |
| McVol | 165.820 | ml/mol | McGowan Calculated Property |
| Pc | 2363.37 | kPa | Joback Calculated Property |
| Inp | 1332.00 | NIST | |
| Tboil | 624.98 | K | Joback Calculated Property |
| Tc | 814.52 | K | Joback Calculated Property |
| Tfus | 409.37 | K | Joback Calculated Property |
| Vc | 0.670 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.35; 486.56] | J/mol×K | [624.98; 814.52] | 
|
| Cp,gas | 434.35 | J/mol×K | 624.98 | Joback Calculated Property |
| Cp,gas | 444.76 | J/mol×K | 656.57 | Joback Calculated Property |
| Cp,gas | 454.45 | J/mol×K | 688.16 | Joback Calculated Property |
| Cp,gas | 463.45 | J/mol×K | 719.75 | Joback Calculated Property |
| Cp,gas | 471.78 | J/mol×K | 751.34 | Joback Calculated Property |
| Cp,gas | 479.47 | J/mol×K | 782.93 | Joback Calculated Property |
| Cp,gas | 486.56 | J/mol×K | 814.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Vanillin, pentafluoropropionate.
Sources
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