- InChI
- InChI=1S/C25H31FO4/c1-2-3-4-5-6-7-8-9-12-18-29-24(27)20-14-13-15-21(19-20)25(28)30-23-17-11-10-16-22(23)26/h10-11,13-17,19H,2-9,12,18H2,1H3
- InChI Key
- WEBAQRQSVHWHSG-UHFFFAOYSA-N
- Formula
- C25H31FO4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
c2ccccc2F)c1 - Molecular Weight1
- 414.51
- 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 | 1.1351 | Relay (1.0) Calculated Property | |
| ΔfG° | -297.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -897.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.732 | Crippen Calculated Property | |
| McVol | 332.240 | ml/mol | McGowan Calculated Property |
| Pc | 1157.71 | kPa | Joback Calculated Property |
| Inp | [3183.00; 3183.00] |
|
|
| Inp | 3183.00 | NIST | |
| Inp | 3183.00 | NIST | |
| Tboil | 684.98 | K | Relay (1.0) Calculated Property |
| Tc | 926.77 | K | Relay (1.0) Calculated Property |
| Tfus | 316.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.240 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1082.82; 1147.18] | J/mol×K | [986.57; 1209.75] |
|
| Cp,gas | 1082.82 | J/mol×K | 986.57 | Joback Calculated Property |
| Cp,gas | 1096.93 | J/mol×K | 1023.77 | Joback Calculated Property |
| Cp,gas | 1109.61 | J/mol×K | 1060.96 | Joback Calculated Property |
| Cp,gas | 1120.93 | J/mol×K | 1098.16 | Joback Calculated Property |
| Cp,gas | 1130.93 | J/mol×K | 1135.35 | Joback Calculated Property |
| Cp,gas | 1139.66 | J/mol×K | 1172.55 | Joback Calculated Property |
| Cp,gas | 1147.18 | J/mol×K | 1209.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-fluorophenyl undecyl ester.
Sources
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