- InChI
- InChI=1S/C25H37F3O5/c1-2-3-4-9-12-19-31-23(29)13-10-7-5-6-8-11-14-24(30)32-20-21-15-17-22(18-16-21)33-25(26,27)28/h15-18H,2-14,19-20H2,1H3
- InChI Key
- MWSCVUAQDGGSTM-UHFFFAOYSA-N
- Formula
- C25H37F3O5
- SMILES
-
CCCCCCCOC(=O)CCCCCCCCC(=O)OCc1
ccc(OC(F)(F)F)cc1 - Molecular Weight1
- 474.55
- 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° | -892.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1553.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.16 | kJ/mol | Joback Calculated Property |
| log10WS | -8.47 | Crippen Calculated Property | |
| logPoct/wat | 7.263 | Crippen Calculated Property | |
| McVol | 365.410 | ml/mol | McGowan Calculated Property |
| Pc | 894.80 | kPa | Joback Calculated Property |
| Inp | [2699.00; 2699.00] |
|
|
| Inp | 2699.00 | NIST | |
| Inp | 2699.00 | NIST | |
| Tboil | 972.64 | K | Joback Calculated Property |
| Tc | 1193.47 | K | Joback Calculated Property |
| Tfus | 581.19 | K | Joback Calculated Property |
| Vc | 1.437 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1231.46; 1307.62] | J/mol×K | [972.64; 1193.47] |
|
| Cp,gas | 1231.46 | J/mol×K | 972.64 | Joback Calculated Property |
| Cp,gas | 1247.80 | J/mol×K | 1009.45 | Joback Calculated Property |
| Cp,gas | 1262.60 | J/mol×K | 1046.25 | Joback Calculated Property |
| Cp,gas | 1275.92 | J/mol×K | 1083.06 | Joback Calculated Property |
| Cp,gas | 1287.83 | J/mol×K | 1119.86 | Joback Calculated Property |
| Cp,gas | 1298.38 | J/mol×K | 1156.67 | Joback Calculated Property |
| Cp,gas | 1307.62 | J/mol×K | 1193.47 | Joback Calculated Property |
Similar Compounds
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Sources
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