- InChI
- InChI=1S/C15H5F14NO6/c16-10(17,12(20,21)14(24,25)26)8(31)35-4-5-3-6(30(33)34)1-2-7(5)36-9(32)11(18,19)13(22,23)15(27,28)29/h1-3H,4H2
- InChI Key
- MNKOHAODRWVWML-UHFFFAOYSA-N
- Formula
- C15H5F14NO6
- SMILES
-
O=C(OCc1cc([N+](=O)[O-])ccc1OC
(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F )(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 561.18
- 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 | 0.9126 | Relay (1.0) Calculated Property | |
| ΔfG° | -2974.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3529.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.209 | Crippen Calculated Property | |
| McVol | 255.530 | ml/mol | McGowan Calculated Property |
| Pc | 1304.23 | kPa | Joback Calculated Property |
| Inp | [1515.00; 1515.00] |
|
|
| Inp | 1515.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Tboil | 566.52 | K | Relay (1.0) Calculated Property |
| Tc | 764.38 | K | Relay (1.0) Calculated Property |
| Tfus | 349.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.970 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [809.00; 845.40] | J/mol×K | [854.06; 1048.47] |
|
| Cp,gas | 809.00 | J/mol×K | 854.06 | Joback Calculated Property |
| Cp,gas | 816.37 | J/mol×K | 886.46 | Joback Calculated Property |
| Cp,gas | 823.08 | J/mol×K | 918.86 | Joback Calculated Property |
| Cp,gas | 829.22 | J/mol×K | 951.26 | Joback Calculated Property |
| Cp,gas | 834.91 | J/mol×K | 983.67 | Joback Calculated Property |
| Cp,gas | 840.27 | J/mol×K | 1016.07 | Joback Calculated Property |
| Cp,gas | 845.40 | J/mol×K | 1048.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxy-5-nitrobenzyl alcohol, bis(heptafluorobutyrate).
Sources
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