- InChI
- InChI=1S/C23H27FO4/c1-2-3-4-5-6-16-27-22(25)19-9-11-20(12-10-19)23(26)28-17-15-18-7-13-21(24)14-8-18/h7-14H,2-6,15-17H2,1H3
- InChI Key
- WWMHQHKLGVGIQK-UHFFFAOYSA-N
- Formula
- C23H27FO4
- SMILES
-
CCCCCCCOC(=O)c1ccc(C(=O)OCCc2c
cc(F)cc2)cc1 - Molecular Weight1
- 386.46
- 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 | 1.0356 | Relay (1.0) Calculated Property | |
| ΔfG° | -314.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.352 | Crippen Calculated Property | |
| McVol | 304.060 | ml/mol | McGowan Calculated Property |
| Pc | 1325.20 | kPa | Joback Calculated Property |
| Inp | [3026.00; 3026.00] |
|
|
| Inp | 3026.00 | NIST | |
| Inp | 3026.00 | NIST | |
| Tboil | 691.74 | K | Relay (1.0) Calculated Property |
| Tc | 908.21 | K | Relay (1.0) Calculated Property |
| Tfus | 306.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.132 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [962.99; 1027.43] | J/mol×K | [940.81; 1159.53] |
|
| Cp,gas | 962.99 | J/mol×K | 940.81 | Joback Calculated Property |
| Cp,gas | 976.89 | J/mol×K | 977.26 | Joback Calculated Property |
| Cp,gas | 989.48 | J/mol×K | 1013.72 | Joback Calculated Property |
| Cp,gas | 1000.79 | J/mol×K | 1050.17 | Joback Calculated Property |
| Cp,gas | 1010.85 | J/mol×K | 1086.62 | Joback Calculated Property |
| Cp,gas | 1019.72 | J/mol×K | 1123.07 | Joback Calculated Property |
| Cp,gas | 1027.43 | J/mol×K | 1159.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, heptyl 4-fluorophenethyl ester.
Sources
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