- InChI
- InChI=1S/C10H15F5O2/c1-2-3-4-5-6-7-17-8(16)9(11,12)10(13,14)15/h2-7H2,1H3
- InChI Key
- XVYGQEAPOGQAKL-UHFFFAOYSA-N
- Formula
- C10H15F5O2
- SMILES
- CCCCCCCOC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 262.22
- CAS
- 959033-16-0
- Other Names
-
- Heptyl pentafluoropropionate
- 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 | 0.5902 | Relay (1.0) Calculated Property | |
| ΔfG° | -1168.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1572.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.698 | Crippen Calculated Property | |
| McVol | 168.050 | ml/mol | McGowan Calculated Property |
| Pc | 1859.51 | kPa | Joback Calculated Property |
| Inp | [962.00; 995.60] |
|
|
| Inp | 962.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 995.60 | NIST | |
| Inp | 989.00 | NIST | |
| I | [1016.00; 1025.00] |
|
|
| I | 1025.00 | NIST | |
| I | 1016.00 | NIST | |
| I | 1025.00 | NIST | |
| Tboil | 427.37 | K | Relay (1.0) Calculated Property |
| Tc | 548.57 | K | Relay (1.0) Calculated Property |
| Tfus | 222.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.79; 484.31] | J/mol×K | [494.38; 647.68] |
|
| Cp,gas | 414.79 | J/mol×K | 494.38 | Joback Calculated Property |
| Cp,gas | 427.87 | J/mol×K | 519.93 | Joback Calculated Property |
| Cp,gas | 440.32 | J/mol×K | 545.48 | Joback Calculated Property |
| Cp,gas | 452.17 | J/mol×K | 571.03 | Joback Calculated Property |
| Cp,gas | 463.44 | J/mol×K | 596.58 | Joback Calculated Property |
| Cp,gas | 474.15 | J/mol×K | 622.13 | Joback Calculated Property |
| Cp,gas | 484.31 | J/mol×K | 647.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropionic acid, heptyl ester.
Sources
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