- InChI
- InChI=1S/C15H16F3NO6/c1-10(15(16,17)18)25-14(21)7-3-6-13(20)24-9-11-4-2-5-12(8-11)19(22)23/h2,4-5,8,10H,3,6-7,9H2,1H3
- InChI Key
- XLNKOSULOGOSHJ-UHFFFAOYSA-N
- Formula
- C15H16F3NO6
- SMILES
-
CC(OC(=O)CCCC(=O)OCc1cccc([N+]
(=O)[O-])c1)C(F)(F)F - Molecular Weight1
- 363.29
- 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 | 0.8817 | Relay (1.0) Calculated Property | |
| ΔfG° | -838.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1354.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.302 | Crippen Calculated Property | |
| McVol | 236.060 | ml/mol | McGowan Calculated Property |
| Pc | 1816.95 | kPa | Joback Calculated Property |
| Inp | [2209.00; 2209.00] |
|
|
| Inp | 2209.00 | NIST | |
| Inp | 2209.00 | NIST | |
| Tboil | 611.55 | K | Relay (1.0) Calculated Property |
| Tc | 818.41 | K | Relay (1.0) Calculated Property |
| Tfus | 305.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.841 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [722.09; 772.88] | J/mol×K | [872.82; 1088.31] |
|
| Cp,gas | 722.09 | J/mol×K | 872.82 | Joback Calculated Property |
| Cp,gas | 732.97 | J/mol×K | 908.74 | Joback Calculated Property |
| Cp,gas | 742.82 | J/mol×K | 944.65 | Joback Calculated Property |
| Cp,gas | 751.70 | J/mol×K | 980.57 | Joback Calculated Property |
| Cp,gas | 759.64 | J/mol×K | 1016.48 | Joback Calculated Property |
| Cp,gas | 766.69 | J/mol×K | 1052.40 | Joback Calculated Property |
| Cp,gas | 772.88 | J/mol×K | 1088.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-nitrobenzyl ester.
Sources
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