- InChI
- InChI=1S/C10H7F3O4/c1-16-8(14)6-4-2-3-5-7(6)17-9(15)10(11,12)13/h2-5H,1H3
- InChI Key
- XTKKFZNCNWDIPG-UHFFFAOYSA-N
- Formula
- C10H7F3O4
- SMILES
- COC(=O)c1ccccc1OC(=O)C(F)(F)F
- Molecular Weight1
- 248.16
- 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 | 0.5667 | Relay (1.0) Calculated Property | |
| ΔfG° | -913.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1215.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.941 | Crippen Calculated Property | |
| McVol | 148.190 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Inp | [1226.00; 1226.00] |
|
|
| Inp | 1226.00 | NIST | |
| Inp | 1226.00 | NIST | |
| Tboil | 491.56 | K | Relay (1.0) Calculated Property |
| Tc | 678.85 | K | Relay (1.0) Calculated Property |
| Tfus | 273.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.537 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.02; 421.07] | J/mol×K | [607.02; 808.77] |
|
| Cp,gas | 367.02 | J/mol×K | 607.02 | Joback Calculated Property |
| Cp,gas | 377.74 | J/mol×K | 640.64 | Joback Calculated Property |
| Cp,gas | 387.76 | J/mol×K | 674.27 | Joback Calculated Property |
| Cp,gas | 397.08 | J/mol×K | 707.89 | Joback Calculated Property |
| Cp,gas | 405.73 | J/mol×K | 741.52 | Joback Calculated Property |
| Cp,gas | 413.72 | J/mol×K | 775.14 | Joback Calculated Property |
| Cp,gas | 421.07 | J/mol×K | 808.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl salicylate, O-trifluoroacetyl-.
Sources
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