- InChI
- InChI=1S/C12H9F5O5/c1-20-6-3-4-7(9(18)21-2)8(5-6)22-10(19)11(13,14)12(15,16)17/h3-5H,1-2H3
- InChI Key
- ZATMWZCIBDRJDZ-UHFFFAOYSA-N
- Formula
- C12H9F5O5
- SMILES
-
COC(=O)c1ccc(OC)cc1OC(=O)C(F)(
F)C(F)(F)F - Molecular Weight1
- 328.19
- 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 | 0.7126 | Relay (1.0) Calculated Property | |
| ΔfG° | -1397.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1826.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.585 | Crippen Calculated Property | |
| McVol | 185.780 | ml/mol | McGowan Calculated Property |
| Pc | 2102.27 | kPa | Joback Calculated Property |
| Inp | [1492.00; 1492.00] |
|
|
| Inp | 1492.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Tboil | 526.26 | K | Relay (1.0) Calculated Property |
| Tc | 697.23 | K | Relay (1.0) Calculated Property |
| Tfus | 284.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.680 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [506.81; 561.63] | J/mol×K | [675.49; 865.86] |
|
| Cp,gas | 506.81 | J/mol×K | 675.49 | Joback Calculated Property |
| Cp,gas | 517.78 | J/mol×K | 707.22 | Joback Calculated Property |
| Cp,gas | 527.99 | J/mol×K | 738.95 | Joback Calculated Property |
| Cp,gas | 537.46 | J/mol×K | 770.68 | Joback Calculated Property |
| Cp,gas | 546.22 | J/mol×K | 802.41 | Joback Calculated Property |
| Cp,gas | 554.26 | J/mol×K | 834.14 | Joback Calculated Property |
| Cp,gas | 561.63 | J/mol×K | 865.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2-hydroxy-4-methoxybenzoate, O-pentafluoropropionyl-.
Sources
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