- InChI
- InChI=1S/C15H9F5O2/c1-6-4-3-5-8(7(6)2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3
- InChI Key
- AFSWCWLWXSWWLK-UHFFFAOYSA-N
- Formula
- C15H9F5O2
- SMILES
-
Cc1cccc(OC(=O)c2c(F)c(F)c(F)c(
F)c2F)c1C - Molecular Weight1
- 316.22
- Other Names
-
- 2,3-Dimethylphenol, pentafluorobenzoyl ester
- 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 | 0.6966 | Relay (... Calculated Property | |
| ΔfG° | -975.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1005.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.47 | kJ/mol | Relay (... Calculated Property |
| IE | 8.65 | eV | Relay (... Calculated Property |
| log10WS | -6.67 | Relay (... Calculated Property | |
| logPoct/wat | 4.218 | Crippen Calculated Property | |
| McVol | 190.980 | ml/mol | McGowan Calculated Property |
| Pc | 1923.67 | kPa | Joback Calculated Property |
| Inp | [1680.00; 1702.00] |
|
|
| Inp | 1702.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1682.30 | NIST | |
| Inp | 1687.70 | NIST | |
| Tboil | 568.25 | K | Relay (... Calculated Property |
| Tc | 807.36 | K | Relay (... Calculated Property |
| Tfus | 339.13 | K | Relay (... Calculated Property |
| Vc | 0.709 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.10; 557.75] | J/mol×K | [703.46; 901.36] |
|
| Cp,gas | 499.10 | J/mol×K | 703.46 | Joback Calculated Property |
| Cp,gas | 510.61 | J/mol×K | 736.44 | Joback Calculated Property |
| Cp,gas | 521.42 | J/mol×K | 769.43 | Joback Calculated Property |
| Cp,gas | 531.54 | J/mol×K | 802.41 | Joback Calculated Property |
| Cp,gas | 540.97 | J/mol×K | 835.40 | Joback Calculated Property |
| Cp,gas | 549.70 | J/mol×K | 868.38 | Joback Calculated Property |
| Cp,gas | 557.75 | J/mol×K | 901.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, 2,3-dimethylphenyl ester.
Sources
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