- InChI
- InChI=1S/C23H23F5O4/c1-2-3-4-5-6-7-10-13-31-22(29)14-11-8-9-12-15(14)23(30)32-21-19(27)17(25)16(24)18(26)20(21)28/h8-9,11-12H,2-7,10,13H2,1H3
- InChI Key
- TYZOEAKDLHQFDC-UHFFFAOYSA-N
- Formula
- C23H23F5O4
- SMILES
-
CCCCCCCCCOC(=O)c1ccccc1C(=O)Oc
1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 458.42
- 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° | -1132.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1583.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.54 | kJ/mol | Joback Calculated Property |
| log10WS | -8.81 | Crippen Calculated Property | |
| logPoct/wat | 6.509 | Crippen Calculated Property | |
| McVol | 311.140 | ml/mol | McGowan Calculated Property |
| Pc | 1120.80 | kPa | Joback Calculated Property |
| Inp | 2544.00 | NIST | |
| Tboil | 957.81 | K | Joback Calculated Property |
| Tc | 1172.66 | K | Joback Calculated Property |
| Tfus | 624.20 | K | Joback Calculated Property |
| Vc | 1.246 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [986.44; 1041.81] | J/mol×K | [957.81; 1172.66] | 
|
| Cp,gas | 986.44 | J/mol×K | 957.81 | Joback Calculated Property |
| Cp,gas | 998.93 | J/mol×K | 993.62 | Joback Calculated Property |
| Cp,gas | 1010.09 | J/mol×K | 1029.43 | Joback Calculated Property |
| Cp,gas | 1019.94 | J/mol×K | 1065.24 | Joback Calculated Property |
| Cp,gas | 1028.50 | J/mol×K | 1101.05 | Joback Calculated Property |
| Cp,gas | 1035.78 | J/mol×K | 1136.85 | Joback Calculated Property |
| Cp,gas | 1041.81 | J/mol×K | 1172.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, nonyl pentafluorophenyl ester.
Sources
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