- InChI
- InChI=1S/C22H25FO4/c1-2-3-4-5-8-15-26-21(24)17-11-13-18(14-12-17)22(25)27-16-19-9-6-7-10-20(19)23/h6-7,9-14H,2-5,8,15-16H2,1H3
- InChI Key
- MHJSUQQHHAALIR-UHFFFAOYSA-N
- Formula
- C22H25FO4
- SMILES
-
CCCCCCCOC(=O)c1ccc(C(=O)OCc2cc
ccc2F)cc1 - Molecular Weight1
- 372.43
- 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° | -322.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -733.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.94 | kJ/mol | Joback Calculated Property |
| log10WS | -6.91 | Crippen Calculated Property | |
| logPoct/wat | 5.310 | Crippen Calculated Property | |
| McVol | 289.970 | ml/mol | McGowan Calculated Property |
| Pc | 1422.92 | kPa | Joback Calculated Property |
| Inp | [3212.00; 3212.00] |
|
|
| Inp | 3212.00 | NIST | |
| Inp | 3212.00 | NIST | |
| Tboil | 917.93 | K | Joback Calculated Property |
| Tc | 1135.73 | K | Joback Calculated Property |
| Tfus | 560.49 | K | Joback Calculated Property |
| Vc | 1.117 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [903.90; 968.28] | J/mol×K | [917.93; 1135.73] |
|
| Cp,gas | 903.90 | J/mol×K | 917.93 | Joback Calculated Property |
| Cp,gas | 917.71 | J/mol×K | 954.23 | Joback Calculated Property |
| Cp,gas | 930.24 | J/mol×K | 990.53 | Joback Calculated Property |
| Cp,gas | 941.53 | J/mol×K | 1026.83 | Joback Calculated Property |
| Cp,gas | 951.60 | J/mol×K | 1063.13 | Joback Calculated Property |
| Cp,gas | 960.51 | J/mol×K | 1099.43 | Joback Calculated Property |
| Cp,gas | 968.28 | J/mol×K | 1135.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2-fluorobenzyl heptyl ester.
Sources
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