- InChI
- InChI=1S/C15H9F5O2/c1-7(8-5-3-2-4-6-8)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h2-7H,1H3
- InChI Key
- OITOYBCUNCDVLW-UHFFFAOYSA-N
- Formula
- C15H9F5O2
- SMILES
-
CC(OC(=O)c1c(F)c(F)c(F)c(F)c1F
)c1ccccc1 - Molecular Weight1
- 316.22
- 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.
- I : 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° | -958.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1167.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.53 | kJ/mol | Joback Calculated Property |
| log10WS | -5.86 | Crippen Calculated Property | |
| logPoct/wat | 4.300 | Crippen Calculated Property | |
| McVol | 190.980 | ml/mol | McGowan Calculated Property |
| Pc | 1989.43 | kPa | Joback Calculated Property |
| Inp | [1593.00; 1605.00] |
|
|
| Inp | 1594.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Inp | 1601.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | 1593.00 | NIST | |
| Inp | 1603.00 | NIST | |
| Inp | 1593.00 | NIST | |
| Inp | 1594.00 | NIST | |
| I | [2118.00; 2170.00] |
|
|
| I | 2130.00 | NIST | |
| I | 2149.00 | NIST | |
| I | Outlier 2170.00 | NIST | |
| I | 2118.00 | NIST | |
| I | 2118.00 | NIST | |
| I | 2118.00 | NIST | |
| I | 2130.00 | NIST | |
| Tboil | 693.06 | K | Joback Calculated Property |
| Tc | 892.47 | K | Joback Calculated Property |
| Tfus | 434.36 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.07; 562.52] | J/mol×K | [693.06; 892.47] |
|
| Cp,gas | 502.07 | J/mol×K | 693.06 | Joback Calculated Property |
| Cp,gas | 514.03 | J/mol×K | 726.29 | Joback Calculated Property |
| Cp,gas | 525.23 | J/mol×K | 759.53 | Joback Calculated Property |
| Cp,gas | 535.66 | J/mol×K | 792.76 | Joback Calculated Property |
| Cp,gas | 545.34 | J/mol×K | 826.00 | Joback Calculated Property |
| Cp,gas | 554.29 | J/mol×K | 859.23 | Joback Calculated Property |
| Cp,gas | 562.52 | J/mol×K | 892.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenylethyl pentafluorobenzoate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.