- InChI
- InChI=1S/C21H24FNO3/c1-2-3-4-5-8-14-26-21(25)17-11-9-10-16(15-17)20(24)23-19-13-7-6-12-18(19)22/h6-7,9-13,15H,2-5,8,14H2,1H3,(H,23,24)
- InChI Key
- HPFVLEHPYKDUIW-UHFFFAOYSA-N
- Formula
- C21H24FNO3
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)Nc2cc
ccc2F)c1 - Molecular Weight1
- 357.42
- 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° | -136.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.74 | kJ/mol | Joback Calculated Property |
| log10WS | -6.53 | Crippen Calculated Property | |
| logPoct/wat | 5.205 | Crippen Calculated Property | |
| McVol | 279.990 | ml/mol | McGowan Calculated Property |
| Pc | 1568.47 | kPa | Joback Calculated Property |
| Inp | 2973.00 | NIST | |
| Tboil | 922.80 | K | Joback Calculated Property |
| Tc | 1143.43 | K | Joback Calculated Property |
| Tfus | 579.65 | K | Joback Calculated Property |
| Vc | 1.079 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [873.38; 937.04] | J/mol×K | [922.80; 1143.43] | 
|
| Cp,gas | 873.38 | J/mol×K | 922.80 | Joback Calculated Property |
| Cp,gas | 886.76 | J/mol×K | 959.57 | Joback Calculated Property |
| Cp,gas | 898.96 | J/mol×K | 996.34 | Joback Calculated Property |
| Cp,gas | 910.03 | J/mol×K | 1033.12 | Joback Calculated Property |
| Cp,gas | 920.03 | J/mol×K | 1069.89 | Joback Calculated Property |
| Cp,gas | 929.02 | J/mol×K | 1106.66 | Joback Calculated Property |
| Cp,gas | 937.04 | J/mol×K | 1143.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, monoamide, N-(2-fluorophenyl)-, heptyl ester.
Sources
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