- InChI
- InChI=1S/C15H19FO4/c1-2-3-4-10-19-14(17)12-5-7-13(8-6-12)15(18)20-11-9-16/h5-8H,2-4,9-11H2,1H3
- InChI Key
- VESTXGCUCVJZCC-UHFFFAOYSA-N
- Formula
- C15H19FO4
- SMILES
- CCCCCOC(=O)c1ccc(C(=O)OCCF)cc1
- Molecular Weight1
- 282.31
- 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 | 0.8744 | Relay (1.0) Calculated Property | |
| ΔfG° | -484.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -930.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.160 | Crippen Calculated Property | |
| McVol | 215.100 | ml/mol | McGowan Calculated Property |
| Pc | 1898.60 | kPa | Joback Calculated Property |
| Inp | [2236.00; 2236.00] |
|
|
| Inp | 2236.00 | NIST | |
| Inp | 2236.00 | NIST | |
| Tboil | 605.05 | K | Relay (1.0) Calculated Property |
| Tc | 797.50 | K | Relay (1.0) Calculated Property |
| Tfus | 294.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.804 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.45; 673.66] | J/mol×K | [726.11; 922.73] |
|
| Cp,gas | 601.45 | J/mol×K | 726.11 | Joback Calculated Property |
| Cp,gas | 615.65 | J/mol×K | 758.88 | Joback Calculated Property |
| Cp,gas | 628.97 | J/mol×K | 791.65 | Joback Calculated Property |
| Cp,gas | 641.42 | J/mol×K | 824.42 | Joback Calculated Property |
| Cp,gas | 653.01 | J/mol×K | 857.19 | Joback Calculated Property |
| Cp,gas | 663.75 | J/mol×K | 889.96 | Joback Calculated Property |
| Cp,gas | 673.66 | J/mol×K | 922.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2-fluoroethyl pentyl ester.
Sources
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