- InChI
- InChI=1S/C10H7F13O2/c1-2-3-25-4(24)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-3H2,1H3
- InChI Key
- TWMBCWLVFGAURH-UHFFFAOYSA-N
- Formula
- C10H7F13O2
- SMILES
-
CCCOC(=O)C(F)(F)C(F)(F)C(F)(F)
C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 406.14
- Other Names
-
- 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid propyl 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.
- 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 | 0.5942 | Relay (1.0) Calculated Property | |
| ΔfG° | -2716.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3161.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.678 | Crippen Calculated Property | |
| McVol | 182.210 | ml/mol | McGowan Calculated Property |
| Pc | 1475.88 | kPa | Joback Calculated Property |
| Inp | [807.00; 807.20] |
|
|
| Inp | 807.00 | NIST | |
| Inp | 807.20 | NIST | |
| Inp | 807.00 | NIST | |
| Tboil | 434.37 | K | Relay (1.0) Calculated Property |
| Tc | 550.57 | K | Relay (1.0) Calculated Property |
| Tfus | 244.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.739 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [490.47; 555.27] | J/mol×K | [475.62; 609.60] |
|
| Cp,gas | 490.47 | J/mol×K | 475.62 | Joback Calculated Property |
| Cp,gas | 503.18 | J/mol×K | 497.95 | Joback Calculated Property |
| Cp,gas | 515.08 | J/mol×K | 520.28 | Joback Calculated Property |
| Cp,gas | 526.20 | J/mol×K | 542.61 | Joback Calculated Property |
| Cp,gas | 536.58 | J/mol×K | 564.94 | Joback Calculated Property |
| Cp,gas | 546.26 | J/mol×K | 587.27 | Joback Calculated Property |
| Cp,gas | 555.27 | J/mol×K | 609.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propyl perfluoroheptanoate.
Sources
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