- InChI
- InChI=1S/C14H10F6O6/c1-24-10(21)9(26-12(23)14(18,19)20)6-7-2-4-8(5-3-7)25-11(22)13(15,16)17/h2-5,9H,6H2,1H3
- InChI Key
- IUGBOWODUMJWOJ-UHFFFAOYSA-N
- Formula
- C14H10F6O6
- SMILES
-
COC(=O)C(Cc1ccc(OC(=O)C(F)(F)F
)cc1)OC(=O)C(F)(F)F - Molecular Weight1
- 388.22
- 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 | 0.7217 | Relay (1.0) Calculated Property | |
| ΔfG° | -1697.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2167.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.344 | Crippen Calculated Property | |
| McVol | 217.300 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Inp | [1445.00; 1445.00] |
|
|
| Inp | 1445.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Tboil | 533.25 | K | Relay (1.0) Calculated Property |
| Tc | 717.37 | K | Relay (1.0) Calculated Property |
| Tfus | 312.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.795 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.39; 681.71] | J/mol×K | [768.97; 960.49] |
|
| Cp,gas | 632.39 | J/mol×K | 768.97 | Joback Calculated Property |
| Cp,gas | 642.65 | J/mol×K | 800.89 | Joback Calculated Property |
| Cp,gas | 652.06 | J/mol×K | 832.81 | Joback Calculated Property |
| Cp,gas | 660.64 | J/mol×K | 864.73 | Joback Calculated Property |
| Cp,gas | 668.42 | J/mol×K | 896.65 | Joback Calculated Property |
| Cp,gas | 675.44 | J/mol×K | 928.57 | Joback Calculated Property |
| Cp,gas | 681.71 | J/mol×K | 960.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Hydroxyphenyllactic acid, TFA-ME.
Sources
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