- InChI
- InChI=1S/C24H29FO4/c1-2-3-4-5-6-7-17-28-23(26)20-10-12-21(13-11-20)24(27)29-18-16-19-8-14-22(25)15-9-19/h8-15H,2-7,16-18H2,1H3
- InChI Key
- KOENKSMOAUCOMA-UHFFFAOYSA-N
- Formula
- C24H29FO4
- SMILES
-
CCCCCCCCOC(=O)c1ccc(C(=O)OCCc2
ccc(F)cc2)cc1 - Molecular Weight1
- 400.48
- 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° | -305.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -774.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.39 | kJ/mol | Joback Calculated Property |
| log10WS | -7.25 | Crippen Calculated Property | |
| logPoct/wat | 5.742 | Crippen Calculated Property | |
| McVol | 318.150 | ml/mol | McGowan Calculated Property |
| Pc | 1237.22 | kPa | Joback Calculated Property |
| Inp | [3127.00; 3127.00] |
|
|
| Inp | 3127.00 | NIST | |
| Inp | 3127.00 | NIST | |
| Tboil | 963.69 | K | Joback Calculated Property |
| Tc | 1184.18 | K | Joback Calculated Property |
| Tfus | 583.03 | K | Joback Calculated Property |
| Vc | 1.230 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1022.64; 1087.07] | J/mol×K | [963.69; 1184.18] |
|
| Cp,gas | 1022.64 | J/mol×K | 963.69 | Joback Calculated Property |
| Cp,gas | 1036.65 | J/mol×K | 1000.44 | Joback Calculated Property |
| Cp,gas | 1049.29 | J/mol×K | 1037.19 | Joback Calculated Property |
| Cp,gas | 1060.60 | J/mol×K | 1073.94 | Joback Calculated Property |
| Cp,gas | 1070.64 | J/mol×K | 1110.68 | Joback Calculated Property |
| Cp,gas | 1079.45 | J/mol×K | 1147.43 | Joback Calculated Property |
| Cp,gas | 1087.07 | J/mol×K | 1184.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 4-fluorophenethyl octyl ester.
Sources
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