- InChI
- InChI=1S/C28H33F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-36-27(34)19-16-13-14-17-20(19)28(35)37-26-24(32)22(30)21(29)23(31)25(26)33/h13-14,16-17H,2-12,15,18H2,1H3
- InChI Key
- XFRJTXVMAKMMFD-UHFFFAOYSA-N
- Formula
- C28H33F5O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)c1ccccc1C(
=O)Oc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 528.55
- 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 | 1.3040 | Relay (1.0) Calculated Property | |
| ΔfG° | -1089.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1512.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.459 | Crippen Calculated Property | |
| McVol | 381.590 | ml/mol | McGowan Calculated Property |
| Pc | 831.94 | kPa | Joback Calculated Property |
| Inp | 3047.00 | NIST | |
| Tboil | 694.37 | K | Relay (1.0) Calculated Property |
| Tc | 915.50 | K | Relay (1.0) Calculated Property |
| Tfus | 316.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.433 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1287.11; 1339.55] | J/mol×K | [1072.21; 1325.72] | 
|
| Cp,gas | 1287.11 | J/mol×K | 1072.21 | Joback Calculated Property |
| Cp,gas | 1300.73 | J/mol×K | 1114.46 | Joback Calculated Property |
| Cp,gas | 1312.33 | J/mol×K | 1156.71 | Joback Calculated Property |
| Cp,gas | 1321.95 | J/mol×K | 1198.96 | Joback Calculated Property |
| Cp,gas | 1329.66 | J/mol×K | 1241.21 | Joback Calculated Property |
| Cp,gas | 1335.51 | J/mol×K | 1283.46 | Joback Calculated Property |
| Cp,gas | 1339.55 | J/mol×K | 1325.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, pentafluorophenyl tetradecyl ester.
Sources
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