- InChI
- InChI=1S/C28H37FO4/c1-2-3-4-5-6-7-8-9-10-11-14-20-32-27(30)25-18-12-13-19-26(25)28(31)33-22-23-16-15-17-24(29)21-23/h12-13,15-19,21H,2-11,14,20,22H2,1H3
- InChI Key
- PYYMLMGBTXBQSJ-UHFFFAOYSA-N
- Formula
- C28H37FO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OCc1cccc(F)c1 - Molecular Weight1
- 456.59
- 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° | -272.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -856.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.29 | kJ/mol | Joback Calculated Property |
| log10WS | -9.42 | Crippen Calculated Property | |
| logPoct/wat | 7.651 | Crippen Calculated Property | |
| McVol | 374.510 | ml/mol | McGowan Calculated Property |
| Pc | 960.29 | kPa | Joback Calculated Property |
| Inp | 3262.00 | NIST | |
| Tboil | 1055.21 | K | Joback Calculated Property |
| Tc | 1292.56 | K | Joback Calculated Property |
| Tfus | 628.11 | K | Joback Calculated Property |
| Vc | 1.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1265.98; 1329.88] | J/mol×K | [1055.21; 1292.56] | 
|
| Cp,gas | 1265.98 | J/mol×K | 1055.21 | Joback Calculated Property |
| Cp,gas | 1280.48 | J/mol×K | 1094.77 | Joback Calculated Property |
| Cp,gas | 1293.34 | J/mol×K | 1134.33 | Joback Calculated Property |
| Cp,gas | 1304.64 | J/mol×K | 1173.88 | Joback Calculated Property |
| Cp,gas | 1314.44 | J/mol×K | 1213.44 | Joback Calculated Property |
| Cp,gas | 1322.83 | J/mol×K | 1253.00 | Joback Calculated Property |
| Cp,gas | 1329.88 | J/mol×K | 1292.56 | Joback Calculated Property |
Similar Compounds
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Sources
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