- InChI
- InChI=1S/C28H35F3O5/c1-2-3-4-5-6-7-8-9-10-13-20-34-26(32)24-14-11-12-15-25(24)27(33)35-21-22-16-18-23(19-17-22)36-28(29,30)31/h11-12,14-19H,2-10,13,20-21H2,1H3
- InChI Key
- CAWNGDUOKPWJEA-UHFFFAOYSA-N
- Formula
- C28H35F3O5
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O
)OCc1ccc(OC(F)(F)F)cc1 - Molecular Weight1
- 508.57
- 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° | -763.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1390.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.77 | kJ/mol | Joback Calculated Property |
| log10WS | -9.95 | Crippen Calculated Property | |
| logPoct/wat | 8.020 | Crippen Calculated Property | |
| McVol | 383.920 | ml/mol | McGowan Calculated Property |
| Pc | 909.98 | kPa | Joback Calculated Property |
| Inp | [3084.00; 3084.00] |
|
|
| Inp | 3084.00 | NIST | |
| Inp | 3084.00 | NIST | |
| Tboil | 1072.94 | K | Joback Calculated Property |
| Tc | 1317.23 | K | Joback Calculated Property |
| Tfus | 653.94 | K | Joback Calculated Property |
| Vc | 1.496 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1305.59; 1362.66] | J/mol×K | [1072.94; 1317.23] |
|
| Cp,gas | 1305.59 | J/mol×K | 1072.94 | Joback Calculated Property |
| Cp,gas | 1319.03 | J/mol×K | 1113.66 | Joback Calculated Property |
| Cp,gas | 1330.78 | J/mol×K | 1154.37 | Joback Calculated Property |
| Cp,gas | 1340.92 | J/mol×K | 1195.09 | Joback Calculated Property |
| Cp,gas | 1349.56 | J/mol×K | 1235.80 | Joback Calculated Property |
| Cp,gas | 1356.77 | J/mol×K | 1276.52 | Joback Calculated Property |
| Cp,gas | 1362.66 | J/mol×K | 1317.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, dodecyl 4-trifluoromethoxybenzyl ester.
Sources
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