- InChI
- InChI=1S/C23H26FNO6/c1-2-3-4-5-6-7-8-14-30-22(26)17-10-9-11-18(15-17)23(27)31-21-16-19(24)12-13-20(21)25(28)29/h9-13,15-16H,2-8,14H2,1H3
- InChI Key
- IGXVBPMOIKLZEX-UHFFFAOYSA-N
- Formula
- C23H26FNO6
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)Oc2
cc(F)ccc2[N+](=O)[O-])c1 - Molecular Weight1
- 431.45
- 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° | -288.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.42 | kJ/mol | Joback Calculated Property |
| log10WS | -8.13 | Crippen Calculated Property | |
| logPoct/wat | 5.861 | Crippen Calculated Property | |
| McVol | 321.480 | ml/mol | McGowan Calculated Property |
| Pc | 1322.31 | kPa | Joback Calculated Property |
| Inp | 3283.00 | NIST | |
| Tboil | 1097.63 | K | Joback Calculated Property |
| Tc | 1344.75 | K | Joback Calculated Property |
| Tfus | 727.89 | K | Joback Calculated Property |
| Vc | 1.256 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1056.77; 1090.67] | J/mol×K | [1097.63; 1344.75] | 
|
| Cp,gas | 1056.77 | J/mol×K | 1097.63 | Joback Calculated Property |
| Cp,gas | 1066.11 | J/mol×K | 1138.82 | Joback Calculated Property |
| Cp,gas | 1073.90 | J/mol×K | 1180.00 | Joback Calculated Property |
| Cp,gas | 1080.19 | J/mol×K | 1221.19 | Joback Calculated Property |
| Cp,gas | 1085.04 | J/mol×K | 1262.37 | Joback Calculated Property |
| Cp,gas | 1088.52 | J/mol×K | 1303.56 | Joback Calculated Property |
| Cp,gas | 1090.67 | J/mol×K | 1344.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-nitro-5-fluorophenyl nonyl ester.
Sources
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