- InChI
- InChI=1S/C30H47F3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-36-28(34)18-17-19-29(35)37-25-26-20-22-27(23-21-26)38-30(31,32)33/h20-23H,2-19,24-25H2,1H3
- InChI Key
- KZIDRPPOPPJNRU-UHFFFAOYSA-N
- Formula
- C30H47F3O5
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCC(=O
)OCc1ccc(OC(F)(F)F)cc1 - Molecular Weight1
- 544.69
- 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° | -849.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1656.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 75.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.29 | kJ/mol | Joback Calculated Property |
| log10WS | -10.56 | Crippen Calculated Property | |
| logPoct/wat | 9.213 | Crippen Calculated Property | |
| McVol | 435.860 | ml/mol | McGowan Calculated Property |
| Pc | 684.21 | kPa | Joback Calculated Property |
| Inp | 3378.00 | NIST | |
| Tboil | 1087.04 | K | Joback Calculated Property |
| Tc | 1362.33 | K | Joback Calculated Property |
| Tfus | 637.54 | K | Joback Calculated Property |
| Vc | 1.716 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1544.10; 1623.14] | J/mol×K | [1087.04; 1362.33] | 
|
| Cp,gas | 1544.10 | J/mol×K | 1087.04 | Joback Calculated Property |
| Cp,gas | 1562.72 | J/mol×K | 1132.92 | Joback Calculated Property |
| Cp,gas | 1578.97 | J/mol×K | 1178.80 | Joback Calculated Property |
| Cp,gas | 1592.99 | J/mol×K | 1224.68 | Joback Calculated Property |
| Cp,gas | 1604.93 | J/mol×K | 1270.57 | Joback Calculated Property |
| Cp,gas | 1614.93 | J/mol×K | 1316.45 | Joback Calculated Property |
| Cp,gas | 1623.14 | J/mol×K | 1362.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, heptadecyl 4-(trifluoromethoxy)benzyl ester.
Sources
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