- InChI
- InChI=1S/C10H15F3O4/c1-2-3-4-5-6-7(8(14)15)17-9(16)10(11,12)13/h7H,2-6H2,1H3,(H,14,15)
- InChI Key
- GBAXXYUPUIVJAF-UHFFFAOYSA-N
- Formula
- C10H15F3O4
- SMILES
- CCCCCCC(OC(=O)C(F)(F)F)C(=O)O
- Molecular Weight1
- 256.22
- 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 | 0.8004 | Relay (1.0) Calculated Property | |
| ΔfG° | -1050.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1486.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.516 | Crippen Calculated Property | |
| McVol | 171.950 | ml/mol | McGowan Calculated Property |
| Pc | 2300.32 | kPa | Joback Calculated Property |
| Inp | [1352.00; 1352.00] |
|
|
| Inp | 1352.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Tboil | 492.87 | K | Relay (1.0) Calculated Property |
| Tc | 644.93 | K | Relay (1.0) Calculated Property |
| Tfus | 329.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.627 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.41; 530.53] | J/mol×K | [644.68; 811.81] |
|
| Cp,gas | 474.41 | J/mol×K | 644.68 | Joback Calculated Property |
| Cp,gas | 485.09 | J/mol×K | 672.54 | Joback Calculated Property |
| Cp,gas | 495.22 | J/mol×K | 700.39 | Joback Calculated Property |
| Cp,gas | 504.81 | J/mol×K | 728.25 | Joback Calculated Property |
| Cp,gas | 513.88 | J/mol×K | 756.10 | Joback Calculated Property |
| Cp,gas | 522.45 | J/mol×K | 783.96 | Joback Calculated Property |
| Cp,gas | 530.53 | J/mol×K | 811.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+-)-2-Hydroxyoctanoic acid, trifluoroacetate.
Sources
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