- InChI
- InChI=1S/C24H29FO4/c1-2-3-4-5-6-7-8-11-17-28-23(26)19-13-12-14-20(18-19)24(27)29-22-16-10-9-15-21(22)25/h9-10,12-16,18H,2-8,11,17H2,1H3
- InChI Key
- SIYZCENRSALRGZ-UHFFFAOYSA-N
- Formula
- C24H29FO4
- SMILES
-
CCCCCCCCCCOC(=O)c1cccc(C(=O)Oc
2ccccc2F)c1 - Molecular Weight1
- 400.48
- 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 | 1.0949 | Relay (1.0) Calculated Property | |
| ΔfG° | -305.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -876.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.342 | Crippen Calculated Property | |
| McVol | 318.150 | ml/mol | McGowan Calculated Property |
| Pc | 1237.22 | kPa | Joback Calculated Property |
| Inp | [3076.00; 3076.00] |
|
|
| Inp | 3076.00 | NIST | |
| Inp | 3076.00 | NIST | |
| Tboil | 678.00 | K | Relay (1.0) Calculated Property |
| Tc | 920.21 | K | Relay (1.0) Calculated Property |
| Tfus | 315.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.186 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1022.64; 1087.07] | J/mol×K | [963.69; 1184.18] |
|
| Cp,gas | 1022.64 | J/mol×K | 963.69 | Joback Calculated Property |
| Cp,gas | 1036.65 | J/mol×K | 1000.44 | Joback Calculated Property |
| Cp,gas | 1049.29 | J/mol×K | 1037.19 | Joback Calculated Property |
| Cp,gas | 1060.60 | J/mol×K | 1073.94 | Joback Calculated Property |
| Cp,gas | 1070.64 | J/mol×K | 1110.68 | Joback Calculated Property |
| Cp,gas | 1079.45 | J/mol×K | 1147.43 | Joback Calculated Property |
| Cp,gas | 1087.07 | J/mol×K | 1184.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, decyl 2-fluorophenyl ester.
Sources
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