- InChI
- InChI=1S/C27H37F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-37-23(35)21-17-14-15-18-22(21)24(36)38-20-25(28,29)26(30,31)27(32,33)34/h14-15,17-18H,2-13,16,19-20H2,1H3
- InChI Key
- FVDGXPSBOPXQJF-UHFFFAOYSA-N
- Formula
- C27H37F7O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1ccccc1C
(=O)OCC(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 558.57
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.2609 | Relay (1.0) Calculated Property | |
| ΔfG° | -1543.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2385.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.924 | Crippen Calculated Property | |
| McVol | 394.800 | ml/mol | McGowan Calculated Property |
| Pc | 746.51 | kPa | Joback Calculated Property |
| Inp | 2534.00 | NIST | |
| Tboil | 677.99 | K | Relay (1.0) Calculated Property |
| Tc | 821.29 | K | Relay (1.0) Calculated Property |
| Tfus | 282.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.480 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1353.38; 1442.84] | J/mol×K | [986.60; 1218.38] | 
|
| Cp,gas | 1353.38 | J/mol×K | 986.60 | Joback Calculated Property |
| Cp,gas | 1371.02 | J/mol×K | 1025.23 | Joback Calculated Property |
| Cp,gas | 1387.36 | J/mol×K | 1063.86 | Joback Calculated Property |
| Cp,gas | 1402.56 | J/mol×K | 1102.49 | Joback Calculated Property |
| Cp,gas | 1416.78 | J/mol×K | 1141.12 | Joback Calculated Property |
| Cp,gas | 1430.15 | J/mol×K | 1179.75 | Joback Calculated Property |
| Cp,gas | 1442.84 | J/mol×K | 1218.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester.
Sources
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