- InChI
- InChI=1S/C22H27F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-41-14(40)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h2-13H2,1H3
- InChI Key
- VNZWTUSLODRFTP-UHFFFAOYSA-N
- Formula
- C22H27F17O2
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(F)(F)C(F)
(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F )C(F)(F)C(F)(F)F - Molecular Weight1
- 646.42
- 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 | 1.0420 | Relay (1.0) Calculated Property | |
| ΔfG° | -3388.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4186.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.850 | Crippen Calculated Property | |
| McVol | 358.370 | ml/mol | McGowan Calculated Property |
| Pc | 658.47 | kPa | Joback Calculated Property |
| Inp | 1743.00 | NIST | |
| Tboil | 584.22 | K | Relay (1.0) Calculated Property |
| Tc | 678.76 | K | Relay (1.0) Calculated Property |
| Tfus | 316.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.422 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1169.87; 1257.39] | J/mol×K | [740.80; 910.38] | 
|
| Cp,gas | 1169.87 | J/mol×K | 740.80 | Joback Calculated Property |
| Cp,gas | 1186.94 | J/mol×K | 769.06 | Joback Calculated Property |
| Cp,gas | 1202.86 | J/mol×K | 797.33 | Joback Calculated Property |
| Cp,gas | 1217.75 | J/mol×K | 825.59 | Joback Calculated Property |
| Cp,gas | 1231.73 | J/mol×K | 853.85 | Joback Calculated Property |
| Cp,gas | 1244.90 | J/mol×K | 882.12 | Joback Calculated Property |
| Cp,gas | 1257.39 | J/mol×K | 910.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecafluorononanoic acid, tridecyl ester.
Sources
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