- InChI
- InChI=1S/C16H11F5O2/c1-2-5-8-6-3-4-7-9(8)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h3-4,6-7H,2,5H2,1H3
- InChI Key
- IEJFGMQLJBOJQU-UHFFFAOYSA-N
- Formula
- C16H11F5O2
- SMILES
-
CCCc1ccccc1OC(=O)c1c(F)c(F)c(F
)c(F)c1F - Molecular Weight1
- 330.25
- Other Names
-
- 2-n-Propylphenol, pentafluorobenzoyl ester
- 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° | -957.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1194.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.81 | kJ/mol | Joback Calculated Property |
| log10WS | -6.44 | Crippen Calculated Property | |
| logPoct/wat | 4.554 | Crippen Calculated Property | |
| McVol | 205.070 | ml/mol | McGowan Calculated Property |
| Pc | 1793.94 | kPa | Joback Calculated Property |
| Inp | [1685.90; 1707.00] |
|
|
| Inp | 1707.00 | NIST | |
| Inp | 1685.90 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1690.70 | NIST | |
| Inp | 1685.90 | NIST | |
| Inp | 1707.00 | NIST | |
| Tboil | 721.36 | K | Joback Calculated Property |
| Tc | 916.78 | K | Joback Calculated Property |
| Tfus | 473.15 | K | Joback Calculated Property |
| Vc | 0.830 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.28; 613.98] | J/mol×K | [721.36; 916.78] |
|
| Cp,gas | 552.28 | J/mol×K | 721.36 | Joback Calculated Property |
| Cp,gas | 564.43 | J/mol×K | 753.93 | Joback Calculated Property |
| Cp,gas | 575.82 | J/mol×K | 786.50 | Joback Calculated Property |
| Cp,gas | 586.46 | J/mol×K | 819.07 | Joback Calculated Property |
| Cp,gas | 596.36 | J/mol×K | 851.64 | Joback Calculated Property |
| Cp,gas | 605.53 | J/mol×K | 884.21 | Joback Calculated Property |
| Cp,gas | 613.98 | J/mol×K | 916.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, 2-propylphenyl ester.
Sources
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