- InChI
- InChI=1S/C10H4F7NO4/c11-8(12,9(13,14)10(15,16)17)7(19)22-6-3-1-2-5(4-6)18(20)21/h1-4H
- InChI Key
- AVFHBJSMSJZVFE-UHFFFAOYSA-N
- Formula
- C10H4F7NO4
- SMILES
-
O=C(Oc1cccc([N+](=O)[O-])c1)C(
F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 335.13
- 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° | -1417.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1679.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.56 | Crippen Calculated Property | |
| logPoct/wat | 3.333 | Crippen Calculated Property | |
| McVol | 165.250 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| Inp | 1283.00 | NIST | |
| Tboil | 673.19 | K | Joback Calculated Property |
| Tc | 878.53 | K | Joback Calculated Property |
| Tfus | 468.56 | K | Joback Calculated Property |
| Vc | 0.686 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.39; 505.24] | J/mol×K | [673.19; 878.53] | 
|
| Cp,gas | 461.39 | J/mol×K | 673.19 | Joback Calculated Property |
| Cp,gas | 470.70 | J/mol×K | 707.41 | Joback Calculated Property |
| Cp,gas | 479.11 | J/mol×K | 741.64 | Joback Calculated Property |
| Cp,gas | 486.69 | J/mol×K | 775.86 | Joback Calculated Property |
| Cp,gas | 493.52 | J/mol×K | 810.08 | Joback Calculated Property |
| Cp,gas | 499.68 | J/mol×K | 844.30 | Joback Calculated Property |
| Cp,gas | 505.24 | J/mol×K | 878.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nitrophenol, heptafluorobutyrate.
Sources
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