- InChI
- InChI=1S/C26H29F5O4/c1-2-3-4-5-6-7-8-9-10-13-16-34-25(32)17-14-11-12-15-18(17)26(33)35-24-22(30)20(28)19(27)21(29)23(24)31/h11-12,14-15H,2-10,13,16H2,1H3
- InChI Key
- ZRFGANAQUQVLKJ-UHFFFAOYSA-N
- Formula
- C26H29F5O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O
)Oc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 500.50
- 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° | -1106.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1645.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.22 | kJ/mol | Joback Calculated Property |
| log10WS | -10.06 | Crippen Calculated Property | |
| logPoct/wat | 7.679 | Crippen Calculated Property | |
| McVol | 353.410 | ml/mol | McGowan Calculated Property |
| Pc | 932.35 | kPa | Joback Calculated Property |
| Inp | [2830.00; 2830.00] |
|
|
| Inp | 2830.00 | NIST | |
| Inp | 2830.00 | NIST | |
| Tboil | 1026.45 | K | Joback Calculated Property |
| Tc | 1260.80 | K | Joback Calculated Property |
| Tfus | 658.01 | K | Joback Calculated Property |
| Vc | 1.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1165.69; 1220.11] | J/mol×K | [1026.45; 1260.80] |
|
| Cp,gas | 1165.69 | J/mol×K | 1026.45 | Joback Calculated Property |
| Cp,gas | 1178.86 | J/mol×K | 1065.51 | Joback Calculated Property |
| Cp,gas | 1190.34 | J/mol×K | 1104.57 | Joback Calculated Property |
| Cp,gas | 1200.18 | J/mol×K | 1143.63 | Joback Calculated Property |
| Cp,gas | 1208.39 | J/mol×K | 1182.69 | Joback Calculated Property |
| Cp,gas | 1215.02 | J/mol×K | 1221.75 | Joback Calculated Property |
| Cp,gas | 1220.11 | J/mol×K | 1260.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, dodecyl pentafluorophenyl ester.
Sources
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