- InChI
- InChI=1S/C29H35F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-37-28(35)20-17-14-15-18-21(20)29(36)38-27-25(33)23(31)22(30)24(32)26(27)34/h14-15,17-18H,2-13,16,19H2,1H3
- InChI Key
- SVRJQQDXCMLKHX-UHFFFAOYSA-N
- Formula
- C29H35F5O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1ccccc1C
(=O)Oc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 542.58
- 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° | -1081.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1707.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 77.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.90 | kJ/mol | Joback Calculated Property |
| log10WS | -11.32 | Crippen Calculated Property | |
| logPoct/wat | 8.849 | Crippen Calculated Property | |
| McVol | 395.680 | ml/mol | McGowan Calculated Property |
| Pc | 787.71 | kPa | Joback Calculated Property |
| Inp | [3151.00; 3151.00] |
|
|
| Inp | 3151.00 | NIST | |
| Inp | 3151.00 | NIST | |
| Tboil | 1095.09 | K | Joback Calculated Property |
| Tc | 1360.30 | K | Joback Calculated Property |
| Tfus | 691.82 | K | Joback Calculated Property |
| Vc | 1.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1348.25; 1399.17] | J/mol×K | [1095.09; 1360.30] |
|
| Cp,gas | 1348.25 | J/mol×K | 1095.09 | Joback Calculated Property |
| Cp,gas | 1362.10 | J/mol×K | 1139.29 | Joback Calculated Property |
| Cp,gas | 1373.70 | J/mol×K | 1183.49 | Joback Calculated Property |
| Cp,gas | 1383.14 | J/mol×K | 1227.70 | Joback Calculated Property |
| Cp,gas | 1390.49 | J/mol×K | 1271.90 | Joback Calculated Property |
| Cp,gas | 1395.81 | J/mol×K | 1316.10 | Joback Calculated Property |
| Cp,gas | 1399.17 | J/mol×K | 1360.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, pentadecyl pentafluorophenyl ester.
Sources
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