- InChI
- InChI=1S/C8H11F5O2/c1-2-3-4-5-15-6(14)7(9,10)8(11,12)13/h2-5H2,1H3
- InChI Key
- BPYYNYLCDRAOKR-UHFFFAOYSA-N
- Formula
- C8H11F5O2
- SMILES
- CCCCCOC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 234.16
- CAS
- 680-29-5
- Other Names
-
- Pentyl pentafluoropropionate
- Pentyl 2,2,3,3,3-pentafluoropropanoate
- 1-Pentanol, pentafluoropropionate
- 2,2,3,3,3-Pentafluoro-propionic acid pentyl ester
- Pentyl pentafluoropropanoate
- Propanoic acid, pentafluoro, pentyl ester
- 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 | 0.5071 | Relay (1.0) Calculated Property | |
| ΔfG° | -1185.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1534.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.917 | Crippen Calculated Property | |
| McVol | 139.870 | ml/mol | McGowan Calculated Property |
| Pc | 2210.37 | kPa | Joback Calculated Property |
| Inp | [780.70; 802.50] |
|
|
| Inp | 781.00 | NIST | |
| Inp | 780.70 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 802.50 | NIST | |
| I | 820.00 | NIST | |
| Tboil | 394.86 | K | Relay (1.0) Calculated Property |
| Tc | 516.20 | K | Relay (1.0) Calculated Property |
| Tfus | 206.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.524 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.06; 387.66] | J/mol×K | [448.62; 602.67] |
|
| Cp,gas | 326.06 | J/mol×K | 448.62 | Joback Calculated Property |
| Cp,gas | 337.69 | J/mol×K | 474.29 | Joback Calculated Property |
| Cp,gas | 348.75 | J/mol×K | 499.97 | Joback Calculated Property |
| Cp,gas | 359.26 | J/mol×K | 525.64 | Joback Calculated Property |
| Cp,gas | 369.23 | J/mol×K | 551.32 | Joback Calculated Property |
| Cp,gas | 378.69 | J/mol×K | 576.99 | Joback Calculated Property |
| Cp,gas | 387.66 | J/mol×K | 602.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropionic acid, pentyl ester.
Sources
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