- InChI
- InChI=1S/C10H7F5O2/c1-2-3-17-10(16)4-5(11)7(13)9(15)8(14)6(4)12/h2-3H2,1H3
- InChI Key
- QZYJMLLSDNHSOD-UHFFFAOYSA-N
- Formula
- C10H7F5O2
- SMILES
- CCCOC(=O)c1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 254.15
- CAS
- 97649-89-3
- Other Names
-
- Propyl pentafluorobenzoate
- 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° | -1110.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1295.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.51 | kJ/mol | Joback Calculated Property |
| log10WS | -4.21 | Crippen Calculated Property | |
| logPoct/wat | 2.949 | Crippen Calculated Property | |
| McVol | 144.290 | ml/mol | McGowan Calculated Property |
| Pc | 2265.42 | kPa | Joback Calculated Property |
| Inp | [1110.00; 1162.00] |
|
|
| Inp | 1126.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | Outlier 1162.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1126.00 | NIST | |
| I | [1419.00; 1469.00] |
|
|
| I | 1423.00 | NIST | |
| I | 1426.00 | NIST | |
| I | 1419.00 | NIST | |
| I | 1460.00 | NIST | |
| I | 1434.00 | NIST | |
| I | 1469.00 | NIST | |
| I | 1460.00 | NIST | |
| Tboil | 552.42 | K | Joback Calculated Property |
| Tc | 725.14 | K | Joback Calculated Property |
| Tfus | 366.59 | K | Joback Calculated Property |
| Vc | 0.602 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [339.91; 391.15] | J/mol×K | [552.42; 725.14] |
|
| Cp,gas | 339.91 | J/mol×K | 552.42 | Joback Calculated Property |
| Cp,gas | 349.36 | J/mol×K | 581.21 | Joback Calculated Property |
| Cp,gas | 358.45 | J/mol×K | 609.99 | Joback Calculated Property |
| Cp,gas | 367.17 | J/mol×K | 638.78 | Joback Calculated Property |
| Cp,gas | 375.54 | J/mol×K | 667.56 | Joback Calculated Property |
| Cp,gas | 383.53 | J/mol×K | 696.35 | Joback Calculated Property |
| Cp,gas | 391.15 | J/mol×K | 725.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, propyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.