- InChI
- InChI=1S/C10H7F5O3/c1-17-6-2-4-7(5-3-6)18-8(16)9(11,12)10(13,14)15/h2-5H,1H3
- InChI Key
- HOWQSLIRYRRFQI-UHFFFAOYSA-N
- Formula
- C10H7F5O3
- SMILES
-
COc1ccc(OC(=O)C(F)(F)C(F)(F)F)
cc1 - Molecular Weight1
- 270.15
- CAS
- 545338-93-0
- 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° | -1171.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1399.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.68 | kJ/mol | Joback Calculated Property |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 2.798 | Crippen Calculated Property | |
| McVol | 150.160 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Inp | [1130.00; 1130.00] |
|
|
| Inp | 1130.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Tboil | 548.46 | K | Joback Calculated Property |
| Tc | 735.41 | K | Joback Calculated Property |
| Tfus | 343.58 | K | Joback Calculated Property |
| Vc | 0.598 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.29; 430.90] | J/mol×K | [548.46; 735.41] |
|
| Cp,gas | 372.29 | J/mol×K | 548.46 | Joback Calculated Property |
| Cp,gas | 383.85 | J/mol×K | 579.62 | Joback Calculated Property |
| Cp,gas | 394.65 | J/mol×K | 610.78 | Joback Calculated Property |
| Cp,gas | 404.73 | J/mol×K | 641.94 | Joback Calculated Property |
| Cp,gas | 414.11 | J/mol×K | 673.10 | Joback Calculated Property |
| Cp,gas | 422.82 | J/mol×K | 704.26 | Joback Calculated Property |
| Cp,gas | 430.90 | J/mol×K | 735.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxyphenol, pentafluoropropionate.
Sources
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