- InChI
- InChI=1S/C23H29F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-42-15(41)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)40/h2-14H2,1H3
- InChI Key
- CPKCTWGWQFCVSL-UHFFFAOYSA-N
- Formula
- C23H29F17O2
- SMILES
-
CCCCCCCCCCCCCCOC(=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
- 660.45
- 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 | 1.0796 | Relay (1.0) Calculated Property | |
| ΔfG° | -3380.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4205.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.240 | Crippen Calculated Property | |
| McVol | 372.460 | ml/mol | McGowan Calculated Property |
| Pc | 627.19 | kPa | Joback Calculated Property |
| Inp | [1836.00; 1836.00] |
|
|
| Inp | 1836.00 | NIST | |
| Inp | 1836.00 | NIST | |
| Tboil | 594.97 | K | Relay (1.0) Calculated Property |
| Tc | 686.93 | K | Relay (1.0) Calculated Property |
| Tfus | 318.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.474 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1229.00; 1320.66] | J/mol×K | [763.68; 941.34] |
|
| Cp,gas | 1229.00 | J/mol×K | 763.68 | Joback Calculated Property |
| Cp,gas | 1246.81 | J/mol×K | 793.29 | Joback Calculated Property |
| Cp,gas | 1263.44 | J/mol×K | 822.90 | Joback Calculated Property |
| Cp,gas | 1279.00 | J/mol×K | 852.51 | Joback Calculated Property |
| Cp,gas | 1293.63 | J/mol×K | 882.12 | Joback Calculated Property |
| Cp,gas | 1307.47 | J/mol×K | 911.73 | Joback Calculated Property |
| Cp,gas | 1320.66 | J/mol×K | 941.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecafluorononanoic acid, tetradecyl ester.
Sources
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