- InChI
- InChI=1S/C19H19FO4/c1-2-3-11-23-18(21)15-7-9-16(10-8-15)19(22)24-13-14-5-4-6-17(20)12-14/h4-10,12H,2-3,11,13H2,1H3
- InChI Key
- AOYOWURTKZZKHE-UHFFFAOYSA-N
- Formula
- C19H19FO4
- SMILES
-
CCCCOC(=O)c1ccc(C(=O)OCc2cccc(
F)c2)cc1 - Molecular Weight1
- 330.35
- 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° | -347.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -671.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.26 | kJ/mol | Joback Calculated Property |
| log10WS | -5.65 | Crippen Calculated Property | |
| logPoct/wat | 4.140 | Crippen Calculated Property | |
| McVol | 247.700 | ml/mol | McGowan Calculated Property |
| Pc | 1790.91 | kPa | Joback Calculated Property |
| Inp | [2609.00; 2609.00] |
|
|
| Inp | 2609.00 | NIST | |
| Inp | 2609.00 | NIST | |
| Tboil | 849.29 | K | Joback Calculated Property |
| Tc | 1068.94 | K | Joback Calculated Property |
| Tfus | 526.68 | K | Joback Calculated Property |
| Vc | 0.950 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [730.66; 794.06] | J/mol×K | [849.29; 1068.94] |
|
| Cp,gas | 730.66 | J/mol×K | 849.29 | Joback Calculated Property |
| Cp,gas | 744.12 | J/mol×K | 885.90 | Joback Calculated Property |
| Cp,gas | 756.39 | J/mol×K | 922.51 | Joback Calculated Property |
| Cp,gas | 767.48 | J/mol×K | 959.12 | Joback Calculated Property |
| Cp,gas | 777.44 | J/mol×K | 995.72 | Joback Calculated Property |
| Cp,gas | 786.29 | J/mol×K | 1032.33 | Joback Calculated Property |
| Cp,gas | 794.06 | J/mol×K | 1068.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, butyl 3-fluorobenzyl ester.
Sources
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