- InChI
- InChI=1S/C22H29F5O4/c1-3-4-5-6-7-8-10-14(2)31-17(29)12-9-11-16(28)30-13-15-18(23)20(25)22(27)21(26)19(15)24/h14H,3-13H2,1-2H3
- InChI Key
- NCCNELBWIROFIQ-UHFFFAOYSA-N
- Formula
- C22H29F5O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OCc1
c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 452.46
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1245.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1793.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.99 | kJ/mol | Joback Calculated Property |
| log10WS | -8.12 | Crippen Calculated Property | |
| logPoct/wat | 6.278 | Crippen Calculated Property | |
| McVol | 320.810 | ml/mol | McGowan Calculated Property |
| Pc | 977.17 | kPa | Joback Calculated Property |
| Inp | [2382.00; 2382.00] |
|
|
| Inp | 2382.00 | NIST | |
| Inp | 2382.00 | NIST | |
| Tboil | 902.83 | K | Joback Calculated Property |
| Tc | 1105.91 | K | Joback Calculated Property |
| Tfus | 558.99 | K | Joback Calculated Property |
| Vc | 1.292 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1030.95; 1104.14] | J/mol×K | [902.83; 1105.91] |
|
| Cp,gas | 1030.95 | J/mol×K | 902.83 | Joback Calculated Property |
| Cp,gas | 1046.26 | J/mol×K | 936.68 | Joback Calculated Property |
| Cp,gas | 1060.31 | J/mol×K | 970.52 | Joback Calculated Property |
| Cp,gas | 1073.11 | J/mol×K | 1004.37 | Joback Calculated Property |
| Cp,gas | 1084.68 | J/mol×K | 1038.22 | Joback Calculated Property |
| Cp,gas | 1095.02 | J/mol×K | 1072.06 | Joback Calculated Property |
| Cp,gas | 1104.14 | J/mol×K | 1105.91 | Joback Calculated Property |
Similar Compounds
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Sources
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