- InChI
- InChI=1S/C16H13F8NO6/c17-13(18)15(21,22)16(23,24)14(19,20)8-30-11(26)2-1-3-12(27)31-10-6-4-9(5-7-10)25(28)29/h4-7,13H,1-3,8H2
- InChI Key
- CAVMXZQGESELPR-UHFFFAOYSA-N
- Formula
- C16H13F8NO6
- SMILES
-
O=C(CCCC(=O)Oc1ccc([N+](=O)[O-
])cc1)OCC(F)(F)C(F)(F)C(F)(F)C (F)F - Molecular Weight1
- 467.26
- 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° | -1798.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2249.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.24 | kJ/mol | Joback Calculated Property |
| log10WS | -5.90 | Crippen Calculated Property | |
| logPoct/wat | 4.385 | Crippen Calculated Property | |
| McVol | 259.000 | ml/mol | McGowan Calculated Property |
| Pc | 1446.83 | kPa | Joback Calculated Property |
| Inp | [2268.00; 2268.00] |
|
|
| Inp | 2268.00 | NIST | |
| Inp | 2268.00 | NIST | |
| Tboil | 885.59 | K | Joback Calculated Property |
| Tc | 1090.18 | K | Joback Calculated Property |
| Tfus | 593.93 | K | Joback Calculated Property |
| Vc | 1.058 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [816.99; 863.47] | J/mol×K | [885.59; 1090.18] |
|
| Cp,gas | 816.99 | J/mol×K | 885.59 | Joback Calculated Property |
| Cp,gas | 826.59 | J/mol×K | 919.69 | Joback Calculated Property |
| Cp,gas | 835.34 | J/mol×K | 953.79 | Joback Calculated Property |
| Cp,gas | 843.33 | J/mol×K | 987.89 | Joback Calculated Property |
| Cp,gas | 850.62 | J/mol×K | 1021.99 | Joback Calculated Property |
| Cp,gas | 857.31 | J/mol×K | 1056.09 | Joback Calculated Property |
| Cp,gas | 863.47 | J/mol×K | 1090.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-nitrophenyl ester.
Sources
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