- InChI
- InChI=1S/C11H9F3O4/c1-17-9(15)6-7-2-4-8(5-3-7)18-10(16)11(12,13)14/h2-5H,6H2,1H3
- InChI Key
- NTMCWEFDGOOFAL-UHFFFAOYSA-N
- Formula
- C11H9F3O4
- SMILES
-
COC(=O)Cc1ccc(OC(=O)C(F)(F)F)c
c1 - Molecular Weight1
- 262.18
- 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° | -904.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1131.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.58 | kJ/mol | Joback Calculated Property |
| log10WS | -2.53 | Crippen Calculated Property | |
| logPoct/wat | 1.870 | Crippen Calculated Property | |
| McVol | 162.280 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | [1330.00; 1330.00] |
|
|
| Inp | 1330.00 | NIST | |
| Inp | 1330.00 | NIST | |
| Tboil | 629.90 | K | Joback Calculated Property |
| Tc | 828.90 | K | Joback Calculated Property |
| Tfus | 401.18 | K | Joback Calculated Property |
| Vc | 0.634 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.71; 472.40] | J/mol×K | [629.90; 828.90] |
|
| Cp,gas | 414.71 | J/mol×K | 629.90 | Joback Calculated Property |
| Cp,gas | 426.13 | J/mol×K | 663.07 | Joback Calculated Property |
| Cp,gas | 436.81 | J/mol×K | 696.23 | Joback Calculated Property |
| Cp,gas | 446.75 | J/mol×K | 729.40 | Joback Calculated Property |
| Cp,gas | 455.99 | J/mol×K | 762.57 | Joback Calculated Property |
| Cp,gas | 464.53 | J/mol×K | 795.73 | Joback Calculated Property |
| Cp,gas | 472.40 | J/mol×K | 828.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Hydroxyphenylacetic acid, TFA-ME.
Sources
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