- InChI
- InChI=1S/C27H33F3O4/c1-2-3-4-5-6-7-8-9-14-19-33-25(31)22-16-11-12-17-23(22)26(32)34-20-21-15-10-13-18-24(21)27(28,29)30/h10-13,15-18H,2-9,14,19-20H2,1H3
- InChI Key
- QIZDENQBWLXPIO-UHFFFAOYSA-N
- Formula
- C27H33F3O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)
OCc1ccccc1C(F)(F)F - Molecular Weight1
- 478.54
- Other Names
-
- Phthalic acid, 2-trifluorobenzyl undecyl ester
- 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° | -667.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1237.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.14 | kJ/mol | Joback Calculated Property |
| log10WS | -9.36 | Crippen Calculated Property | |
| logPoct/wat | 7.750 | Crippen Calculated Property | |
| McVol | 363.960 | ml/mol | McGowan Calculated Property |
| Pc | 975.34 | kPa | Joback Calculated Property |
| Inp | [3009.00; 3009.00] |
|
|
| Inp | 3009.00 | NIST | |
| Inp | 3009.00 | NIST | |
| Tboil | 1027.64 | K | Joback Calculated Property |
| Tc | 1258.34 | K | Joback Calculated Property |
| Tfus | 620.44 | K | Joback Calculated Property |
| Vc | 1.423 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1218.03; 1284.97] | J/mol×K | [1027.64; 1258.34] |
|
| Cp,gas | 1218.03 | J/mol×K | 1027.64 | Joback Calculated Property |
| Cp,gas | 1232.31 | J/mol×K | 1066.09 | Joback Calculated Property |
| Cp,gas | 1245.21 | J/mol×K | 1104.54 | Joback Calculated Property |
| Cp,gas | 1256.84 | J/mol×K | 1142.99 | Joback Calculated Property |
| Cp,gas | 1267.28 | J/mol×K | 1181.44 | Joback Calculated Property |
| Cp,gas | 1276.62 | J/mol×K | 1219.89 | Joback Calculated Property |
| Cp,gas | 1284.97 | J/mol×K | 1258.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, undecyl 2-trifluoromethylbenzyl ester.
Sources
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