- InChI
- InChI=1S/C10H6F5NO5/c1-20-6-3-2-5(16(18)19)4-7(6)21-8(17)9(11,12)10(13,14)15/h2-4H,1H3
- InChI Key
- WCHCTHAWEVUBAN-UHFFFAOYSA-N
- Formula
- C10H6F5NO5
- SMILES
-
COc1ccc([N+](=O)[O-])cc1OC(=O)
C(F)(F)C(F)(F)F - Molecular Weight1
- 315.15
- 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° | -1145.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1421.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.93 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 2.706 | Crippen Calculated Property | |
| McVol | 167.580 | ml/mol | McGowan Calculated Property |
| Pc | 2443.48 | kPa | Joback Calculated Property |
| Inp | [1497.00; 1497.00] |
|
|
| Inp | 1497.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Tboil | 705.28 | K | Joback Calculated Property |
| Tc | 916.13 | K | Joback Calculated Property |
| Tfus | 499.71 | K | Joback Calculated Property |
| Vc | 0.679 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.56; 509.56] | J/mol×K | [705.28; 916.13] |
|
| Cp,gas | 463.56 | J/mol×K | 705.28 | Joback Calculated Property |
| Cp,gas | 473.15 | J/mol×K | 740.42 | Joback Calculated Property |
| Cp,gas | 481.91 | J/mol×K | 775.56 | Joback Calculated Property |
| Cp,gas | 489.90 | J/mol×K | 810.70 | Joback Calculated Property |
| Cp,gas | 497.14 | J/mol×K | 845.85 | Joback Calculated Property |
| Cp,gas | 503.68 | J/mol×K | 880.99 | Joback Calculated Property |
| Cp,gas | 509.56 | J/mol×K | 916.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxy-5-nitrophenol, pentafluoropropionate.
Sources
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