- InChI
- InChI=1S/C11H7F5O4/c1-19-8(17)6-4-2-3-5-7(6)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3
- InChI Key
- MQJVYGPSPPVQCR-UHFFFAOYSA-N
- Formula
- C11H7F5O4
- SMILES
-
COC(=O)c1ccccc1OC(=O)C(F)(F)C(
F)(F)F - Molecular Weight1
- 298.16
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6112 | Relay (1.0) Calculated Property | |
| ΔfG° | -1291.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1662.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.576 | Crippen Calculated Property | |
| McVol | 165.820 | ml/mol | McGowan Calculated Property |
| Pc | 2372.59 | kPa | Joback Calculated Property |
| Inp | [1241.00; 1241.00] |
|
|
| Inp | 1241.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Tboil | 490.25 | K | Relay (1.0) Calculated Property |
| Tc | 669.53 | K | Relay (1.0) Calculated Property |
| Tfus | 263.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.602 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.49; 488.33] | J/mol×K | [625.21; 817.70] |
|
| Cp,gas | 434.49 | J/mol×K | 625.21 | Joback Calculated Property |
| Cp,gas | 445.31 | J/mol×K | 657.29 | Joback Calculated Property |
| Cp,gas | 455.35 | J/mol×K | 689.37 | Joback Calculated Property |
| Cp,gas | 464.64 | J/mol×K | 721.46 | Joback Calculated Property |
| Cp,gas | 473.21 | J/mol×K | 753.54 | Joback Calculated Property |
| Cp,gas | 481.09 | J/mol×K | 785.62 | Joback Calculated Property |
| Cp,gas | 488.33 | J/mol×K | 817.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl salicylate, O-pentafluoropropionyl-.
Sources
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