- InChI
- InChI=1S/C19H19FO4/c1-2-3-4-11-23-18(21)14-7-5-8-15(12-14)19(22)24-17-10-6-9-16(20)13-17/h5-10,12-13H,2-4,11H2,1H3
- InChI Key
- XIFSUADDWPNOAW-UHFFFAOYSA-N
- Formula
- C19H19FO4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2cccc
(F)c2)c1 - Molecular Weight1
- 330.35
- 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 | 0.8962 | Relay (1.0) Calculated Property | |
| ΔfG° | -347.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -795.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.392 | Crippen Calculated Property | |
| McVol | 247.700 | ml/mol | McGowan Calculated Property |
| Pc | 1790.91 | kPa | Joback Calculated Property |
| Inp | 2530.00 | NIST | |
| Tboil | 648.08 | K | Relay (1.0) Calculated Property |
| Tc | 886.26 | K | Relay (1.0) Calculated Property |
| Tfus | 304.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.913 | m3/kmol | Relay (1.0) 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 Isophthalic acid, 3-fluorophenyl pentyl ester.
Sources
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