- InChI
- InChI=1S/C9H9F9O2/c1-2-3-4-20-5(19)6(10,11)7(12,13)8(14,15)9(16,17)18/h2-4H2,1H3
- InChI Key
- MPAULUFXCUVYQJ-UHFFFAOYSA-N
- Formula
- C9H9F9O2
- SMILES
-
CCCCOC(=O)C(F)(F)C(F)(F)C(F)(F
)C(F)(F)F - Molecular Weight1
- 320.15
- Other Names
-
- Butyl perfluoropentanoate
- 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 | 0.5506 | Relay (... Calculated Property | |
| ΔfG° | -1950.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2354.29 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.74 | kJ/mol | Relay (... Calculated Property |
| IE | 10.91 | eV | Relay (... Calculated Property |
| log10WS | -4.93 | Relay (... Calculated Property | |
| logPoct/wat | 3.798 | Crippen Calculated Property | |
| McVol | 161.040 | ml/mol | McGowan Calculated Property |
| Pc | 1787.88 | kPa | Joback Calculated Property |
| Inp | [787.00; 787.30] |
|
|
| Inp | 787.00 | NIST | |
| Inp | 787.30 | NIST | |
| Tboil | 411.15 | K | Relay (... Calculated Property |
| Tc | 529.55 | K | Relay (... Calculated Property |
| Tfus | 202.27 | K | Relay (... Calculated Property |
| Vc | 0.624 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.31; 470.97] | J/mol×K | [462.12; 605.02] |
|
| Cp,gas | 407.31 | J/mol×K | 462.12 | Joback Calculated Property |
| Cp,gas | 419.61 | J/mol×K | 485.94 | Joback Calculated Property |
| Cp,gas | 431.19 | J/mol×K | 509.75 | Joback Calculated Property |
| Cp,gas | 442.09 | J/mol×K | 533.57 | Joback Calculated Property |
| Cp,gas | 452.33 | J/mol×K | 557.38 | Joback Calculated Property |
| Cp,gas | 461.95 | J/mol×K | 581.20 | Joback Calculated Property |
| Cp,gas | 470.97 | J/mol×K | 605.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,3,3,4,4,5,5,5-Nonafluoro-pentanoic acid butyl ester.
Sources
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