- InChI
- InChI=1S/C12H11F5O2/c1-2-3-4-5-19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h2-5H2,1H3
- InChI Key
- OWMXFTXURJTYJD-UHFFFAOYSA-N
- Formula
- C12H11F5O2
- SMILES
-
CCCCCOC(=O)c1c(F)c(F)c(F)c(F)c
1F - Molecular Weight1
- 282.21
- 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.
- 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 |
|---|---|---|---|
| ω | 0.7030 | Relay (1.0) Calculated Property | |
| ΔfG° | -1093.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1149.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.729 | Crippen Calculated Property | |
| McVol | 172.470 | ml/mol | McGowan Calculated Property |
| Pc | 1901.92 | kPa | Joback Calculated Property |
| Inp | [1310.00; 1340.00] |
|
|
| Inp | 1319.00 | NIST | |
| Inp | 1321.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | Outlier 1340.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1319.00 | NIST | |
| I | [1564.00; 1635.00] |
|
|
| I | 1608.00 | NIST | |
| I | 1611.00 | NIST | |
| I | 1595.00 | NIST | |
| I | Outlier 1564.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1607.00 | NIST | |
| I | 1635.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1608.00 | NIST | |
| Tboil | 505.01 | K | Relay (1.0) Calculated Property |
| Tc | 690.06 | K | Relay (1.0) Calculated Property |
| Tfus | 253.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.655 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.76; 492.74] | J/mol×K | [598.18; 768.75] |
|
| Cp,gas | 432.76 | J/mol×K | 598.18 | Joback Calculated Property |
| Cp,gas | 443.90 | J/mol×K | 626.61 | Joback Calculated Property |
| Cp,gas | 454.59 | J/mol×K | 655.04 | Joback Calculated Property |
| Cp,gas | 464.81 | J/mol×K | 683.47 | Joback Calculated Property |
| Cp,gas | 474.58 | J/mol×K | 711.90 | Joback Calculated Property |
| Cp,gas | 483.89 | J/mol×K | 740.33 | Joback Calculated Property |
| Cp,gas | 492.74 | J/mol×K | 768.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to pentyl pentafluorobenzoate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.