- InChI
- InChI=1S/C16H11F5O4/c1-23-9-4-2-3-8(7-9)16(22)25-6-5-24-15-13(20)11(18)10(17)12(19)14(15)21/h2-4,7H,5-6H2,1H3
- InChI Key
- YOFMJAQVPLXERA-UHFFFAOYSA-N
- Formula
- C16H11F5O4
- SMILES
-
COc1cccc(C(=O)OCCOc2c(F)c(F)c(
F)c(F)c2F)c1 - Molecular Weight1
- 362.25
- 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° | -1167.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1459.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.26 | Crippen Calculated Property | |
| logPoct/wat | 3.626 | Crippen Calculated Property | |
| McVol | 216.810 | ml/mol | McGowan Calculated Property |
| Pc | 1743.37 | kPa | Joback Calculated Property |
| Inp | [2040.00; 2040.00] |
|
|
| Inp | 2040.00 | NIST | |
| Inp | 2040.00 | NIST | |
| Tboil | 766.20 | K | Joback Calculated Property |
| Tc | 960.94 | K | Joback Calculated Property |
| Tfus | 517.61 | K | Joback Calculated Property |
| Vc | 0.866 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.99; 661.58] | J/mol×K | [766.20; 960.94] |
|
| Cp,gas | 603.99 | J/mol×K | 766.20 | Joback Calculated Property |
| Cp,gas | 615.70 | J/mol×K | 798.66 | Joback Calculated Property |
| Cp,gas | 626.58 | J/mol×K | 831.11 | Joback Calculated Property |
| Cp,gas | 636.62 | J/mol×K | 863.57 | Joback Calculated Property |
| Cp,gas | 645.81 | J/mol×K | 896.03 | Joback Calculated Property |
| Cp,gas | 654.14 | J/mol×K | 928.48 | Joback Calculated Property |
| Cp,gas | 661.58 | J/mol×K | 960.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxybenzoic acid, 2-(pentafluorophenoxy)ethyl ester.
Sources
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