- InChI
- InChI=1S/C10H6F5NO4/c11-9(12,10(13,14)15)8(17)20-5-6-2-1-3-7(4-6)16(18)19/h1-4H,5H2
- InChI Key
- BIGJTYYYNLMSSD-UHFFFAOYSA-N
- Formula
- C10H6F5NO4
- SMILES
-
O=C(OCc1cccc([N+](=O)[O-])c1)C
(F)(F)C(F)(F)F - Molecular Weight1
- 299.15
- 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 | 0.6364 | Relay (1.0) Calculated Property | |
| ΔfG° | -1030.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1304.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.836 | Crippen Calculated Property | |
| McVol | 161.710 | ml/mol | McGowan Calculated Property |
| Pc | 2522.65 | kPa | Joback Calculated Property |
| Inp | 1423.00 | NIST | |
| Tboil | 511.09 | K | Relay (1.0) Calculated Property |
| Tc | 722.83 | K | Relay (1.0) Calculated Property |
| Tfus | 277.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.570 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [441.87; 489.79] | J/mol×K | [677.88; 889.99] | 
|
| Cp,gas | 441.87 | J/mol×K | 677.88 | Joback Calculated Property |
| Cp,gas | 451.85 | J/mol×K | 713.23 | Joback Calculated Property |
| Cp,gas | 460.96 | J/mol×K | 748.58 | Joback Calculated Property |
| Cp,gas | 469.24 | J/mol×K | 783.93 | Joback Calculated Property |
| Cp,gas | 476.77 | J/mol×K | 819.28 | Joback Calculated Property |
| Cp,gas | 483.59 | J/mol×K | 854.63 | Joback Calculated Property |
| Cp,gas | 489.79 | J/mol×K | 889.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nitrobenzyl alcohol, pentafluoropropionate.
Sources
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