- InChI
- InChI=1S/C26H33FO4/c1-2-3-4-5-6-7-8-9-10-11-18-30-25(28)21-14-12-15-22(19-21)26(29)31-24-17-13-16-23(27)20-24/h12-17,19-20H,2-11,18H2,1H3
- InChI Key
- LSAHLLVDLXIJEZ-UHFFFAOYSA-N
- Formula
- C26H33FO4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
Oc2cccc(F)c2)c1 - Molecular Weight1
- 428.54
- 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° | -289.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -815.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.84 | kJ/mol | Joback Calculated Property |
| log10WS | -8.74 | Crippen Calculated Property | |
| logPoct/wat | 7.123 | Crippen Calculated Property | |
| McVol | 346.330 | ml/mol | McGowan Calculated Property |
| Pc | 1085.63 | kPa | Joback Calculated Property |
| Inp | [3268.00; 3268.00] |
|
|
| Inp | 3268.00 | NIST | |
| Inp | 3268.00 | NIST | |
| Tboil | 1009.45 | K | Joback Calculated Property |
| Tc | 1236.29 | K | Joback Calculated Property |
| Tfus | 605.57 | K | Joback Calculated Property |
| Vc | 1.341 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1143.46; 1207.70] | J/mol×K | [1009.45; 1236.29] |
|
| Cp,gas | 1143.46 | J/mol×K | 1009.45 | Joback Calculated Property |
| Cp,gas | 1157.69 | J/mol×K | 1047.26 | Joback Calculated Property |
| Cp,gas | 1170.43 | J/mol×K | 1085.06 | Joback Calculated Property |
| Cp,gas | 1181.74 | J/mol×K | 1122.87 | Joback Calculated Property |
| Cp,gas | 1191.68 | J/mol×K | 1160.67 | Joback Calculated Property |
| Cp,gas | 1200.32 | J/mol×K | 1198.48 | Joback Calculated Property |
| Cp,gas | 1207.70 | J/mol×K | 1236.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, dodecyl 3-fluorophenyl ester.
Sources
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