- InChI
- InChI=1S/C15H25F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-22-13(21)14(16,17)15(18,19)20/h2-12H2,1H3
- InChI Key
- XIQJAGXFOCELKQ-UHFFFAOYSA-N
- Formula
- C15H25F5O2
- SMILES
-
CCCCCCCCCCCCOC(=O)C(F)(F)C(F)(
F)F - Molecular Weight1
- 332.35
- CAS
- 6222-04-4
- Other Names
-
- Dodecyl pentafluoropropionate
- Dodecyl 2,2,3,3,3-pentafluoropropanoate
- 1-Dodecanol, pentafluoropropionate
- 1-Dodecanol, PFP
- 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 | 0.7798 | Relay (1.0) Calculated Property | |
| ΔfG° | -1126.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1675.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.648 | Crippen Calculated Property | |
| McVol | 238.500 | ml/mol | McGowan Calculated Property |
| Pc | 1276.42 | kPa | Joback Calculated Property |
| Inp | [1442.00; 1481.00] |
|
|
| Inp | 1481.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1455.60 | NIST | |
| I | 1505.00 | NIST | |
| Tboil | 499.12 | K | Relay (1.0) Calculated Property |
| Tc | 618.06 | K | Relay (1.0) Calculated Property |
| Tfus | 259.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.911 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.86; 749.93] | J/mol×K | [608.78; 762.79] |
|
| Cp,gas | 665.86 | J/mol×K | 608.78 | Joback Calculated Property |
| Cp,gas | 681.64 | J/mol×K | 634.45 | Joback Calculated Property |
| Cp,gas | 696.67 | J/mol×K | 660.12 | Joback Calculated Property |
| Cp,gas | 710.99 | J/mol×K | 685.79 | Joback Calculated Property |
| Cp,gas | 724.62 | J/mol×K | 711.46 | Joback Calculated Property |
| Cp,gas | 737.59 | J/mol×K | 737.13 | Joback Calculated Property |
| Cp,gas | 749.93 | J/mol×K | 762.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropionic acid, dodecyl ester.
Sources
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