- InChI
- InChI=1S/C22H32FNO6/c1-2-3-4-5-6-7-11-16-29-21(25)12-9-8-10-13-22(26)30-20-17-18(23)14-15-19(20)24(27)28/h14-15,17H,2-13,16H2,1H3
- InChI Key
- XSXLKTXMPSEAOI-UHFFFAOYSA-N
- Formula
- C22H32FNO6
- SMILES
-
CCCCCCCCCOC(=O)CCCCCC(=O)Oc1cc
(F)ccc1[N+](=O)[O-] - Molecular Weight1
- 425.49
- 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 | 1.2140 | Relay (1.0) Calculated Property | |
| ΔfG° | -399.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1078.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.884 | Crippen Calculated Property | |
| McVol | 331.150 | ml/mol | McGowan Calculated Property |
| Pc | 1133.67 | kPa | Joback Calculated Property |
| Inp | [3098.00; 3098.00] |
|
|
| Inp | 3098.00 | NIST | |
| Inp | 3098.00 | NIST | |
| Tboil | 667.98 | K | Relay (1.0) Calculated Property |
| Tc | 903.32 | K | Relay (1.0) Calculated Property |
| Tfus | 322.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.226 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1113.70; 1166.63] | J/mol×K | [1043.09; 1277.17] |
|
| Cp,gas | 1113.70 | J/mol×K | 1043.09 | Joback Calculated Property |
| Cp,gas | 1126.20 | J/mol×K | 1082.10 | Joback Calculated Property |
| Cp,gas | 1137.17 | J/mol×K | 1121.12 | Joback Calculated Property |
| Cp,gas | 1146.66 | J/mol×K | 1160.13 | Joback Calculated Property |
| Cp,gas | 1154.70 | J/mol×K | 1199.14 | Joback Calculated Property |
| Cp,gas | 1161.34 | J/mol×K | 1238.15 | Joback Calculated Property |
| Cp,gas | 1166.63 | J/mol×K | 1277.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 2-nitro-5-fluorophenyl nonyl ester.
Sources
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