- InChI
- InChI=1S/C14H17FO4/c1-2-3-9-18-13(16)11-4-6-12(7-5-11)14(17)19-10-8-15/h4-7H,2-3,8-10H2,1H3
- InChI Key
- TXTDCYGIPALSSD-UHFFFAOYSA-N
- Formula
- C14H17FO4
- SMILES
- CCCCOC(=O)c1ccc(C(=O)OCCF)cc1
- Molecular Weight1
- 268.28
- 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° | -492.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -792.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.19 | kJ/mol | Joback Calculated Property |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 2.770 | Crippen Calculated Property | |
| McVol | 201.010 | ml/mol | McGowan Calculated Property |
| Pc | 2068.00 | kPa | Joback Calculated Property |
| Inp | [2136.00; 2136.00] |
|
|
| Inp | 2136.00 | NIST | |
| Inp | 2136.00 | NIST | |
| Tboil | 703.23 | K | Joback Calculated Property |
| Tc | 901.55 | K | Joback Calculated Property |
| Tfus | 431.39 | K | Joback Calculated Property |
| Vc | 0.777 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.87; 618.11] | J/mol×K | [703.23; 901.55] |
|
| Cp,gas | 547.87 | J/mol×K | 703.23 | Joback Calculated Property |
| Cp,gas | 561.65 | J/mol×K | 736.28 | Joback Calculated Property |
| Cp,gas | 574.59 | J/mol×K | 769.34 | Joback Calculated Property |
| Cp,gas | 586.70 | J/mol×K | 802.39 | Joback Calculated Property |
| Cp,gas | 597.99 | J/mol×K | 835.45 | Joback Calculated Property |
| Cp,gas | 608.45 | J/mol×K | 868.50 | Joback Calculated Property |
| Cp,gas | 618.11 | J/mol×K | 901.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, butyl 2-fluoroethyl ester.
Sources
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