- InChI
- InChI=1S/C27H35FO4/c1-2-3-4-5-6-7-8-9-10-11-14-20-31-26(29)24-18-12-13-19-25(24)27(30)32-23-17-15-16-22(28)21-23/h12-13,15-19,21H,2-11,14,20H2,1H3
- InChI Key
- FHMZBEFBKGJRKX-UHFFFAOYSA-N
- Formula
- C27H35FO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)Oc1cccc(F)c1 - Molecular Weight1
- 442.56
- 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° | -280.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -836.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.07 | kJ/mol | Joback Calculated Property |
| log10WS | -9.16 | Crippen Calculated Property | |
| logPoct/wat | 7.513 | Crippen Calculated Property | |
| McVol | 360.420 | ml/mol | McGowan Calculated Property |
| Pc | 1020.08 | kPa | Joback Calculated Property |
| Inp | [3148.00; 3148.00] |
|
|
| Inp | 3148.00 | NIST | |
| Inp | 3148.00 | NIST | |
| Tboil | 1032.33 | K | Joback Calculated Property |
| Tc | 1263.87 | K | Joback Calculated Property |
| Tfus | 616.84 | K | Joback Calculated Property |
| Vc | 1.397 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1204.53; 1268.61] | J/mol×K | [1032.33; 1263.87] |
|
| Cp,gas | 1204.53 | J/mol×K | 1032.33 | Joback Calculated Property |
| Cp,gas | 1218.88 | J/mol×K | 1070.92 | Joback Calculated Property |
| Cp,gas | 1231.68 | J/mol×K | 1109.51 | Joback Calculated Property |
| Cp,gas | 1242.99 | J/mol×K | 1148.10 | Joback Calculated Property |
| Cp,gas | 1252.87 | J/mol×K | 1186.69 | Joback Calculated Property |
| Cp,gas | 1261.39 | J/mol×K | 1225.28 | Joback Calculated Property |
| Cp,gas | 1268.61 | J/mol×K | 1263.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 3-fluorophenyl tridecyl ester.
Sources
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