- InChI
- InChI=1S/C27H33F3O5/c1-2-3-4-5-6-7-8-9-12-19-33-25(31)23-13-10-11-14-24(23)26(32)34-20-21-15-17-22(18-16-21)35-27(28,29)30/h10-11,13-18H,2-9,12,19-20H2,1H3
- InChI Key
- ZOLPZHCGWFVMAC-UHFFFAOYSA-N
- Formula
- C27H33F3O5
- SMILES
-
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)
OCc1ccc(OC(F)(F)F)cc1 - Molecular Weight1
- 494.54
- 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° | -772.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1369.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.55 | kJ/mol | Joback Calculated Property |
| log10WS | -9.53 | Crippen Calculated Property | |
| logPoct/wat | 7.630 | Crippen Calculated Property | |
| McVol | 369.830 | ml/mol | McGowan Calculated Property |
| Pc | 965.07 | kPa | Joback Calculated Property |
| Inp | [2989.00; 2989.00] |
|
|
| Inp | 2989.00 | NIST | |
| Inp | 2989.00 | NIST | |
| Tboil | 1050.06 | K | Joback Calculated Property |
| Tc | 1286.87 | K | Joback Calculated Property |
| Tfus | 642.67 | K | Joback Calculated Property |
| Vc | 1.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1244.61; 1301.77] | J/mol×K | [1050.06; 1286.87] |
|
| Cp,gas | 1244.61 | J/mol×K | 1050.06 | Joback Calculated Property |
| Cp,gas | 1257.86 | J/mol×K | 1089.53 | Joback Calculated Property |
| Cp,gas | 1269.52 | J/mol×K | 1129.00 | Joback Calculated Property |
| Cp,gas | 1279.66 | J/mol×K | 1168.46 | Joback Calculated Property |
| Cp,gas | 1288.36 | J/mol×K | 1207.93 | Joback Calculated Property |
| Cp,gas | 1295.71 | J/mol×K | 1247.40 | Joback Calculated Property |
| Cp,gas | 1301.77 | J/mol×K | 1286.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 4-trifluoromethoxybenzyl undecyl ester.
Sources
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