- InChI
- InChI=1S/C15H9F5O2/c1-2-7-4-3-5-8(6-7)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-6H,2H2,1H3
- InChI Key
- QKQHDUIRUAMJNN-UHFFFAOYSA-N
- Formula
- C15H9F5O2
- SMILES
-
CCc1cccc(OC(=O)c2c(F)c(F)c(F)c
(F)c2F)c1 - Molecular Weight1
- 316.22
- Other Names
-
- 3-Ethylphenol, 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 | 0.7116 | Relay (... Calculated Property | |
| ΔfG° | -965.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -994.22 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.54 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -7.02 | Relay (... Calculated Property | |
| logPoct/wat | 4.164 | Crippen Calculated Property | |
| McVol | 190.980 | ml/mol | McGowan Calculated Property |
| Pc | 1949.23 | kPa | Joback Calculated Property |
| Inp | [1669.30; 1679.00] |
|
|
| Inp | 1679.00 | NIST | |
| Inp | 1669.30 | NIST | |
| Inp | 1670.20 | NIST | |
| Inp | 1671.70 | NIST | |
| Inp | 1669.30 | NIST | |
| Tboil | 567.00 | K | Relay (... Calculated Property |
| Tc | 795.69 | K | Relay (... Calculated Property |
| Tfus | 281.80 | K | Relay (... Calculated Property |
| Vc | 0.707 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.33; 559.47] | J/mol×K | [698.48; 895.55] |
|
| Cp,gas | 500.33 | J/mol×K | 698.48 | Joback Calculated Property |
| Cp,gas | 511.95 | J/mol×K | 731.33 | Joback Calculated Property |
| Cp,gas | 522.86 | J/mol×K | 764.17 | Joback Calculated Property |
| Cp,gas | 533.06 | J/mol×K | 797.02 | Joback Calculated Property |
| Cp,gas | 542.56 | J/mol×K | 829.86 | Joback Calculated Property |
| Cp,gas | 551.36 | J/mol×K | 862.71 | Joback Calculated Property |
| Cp,gas | 559.47 | J/mol×K | 895.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, 3-ethylphenyl ester.
Sources
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