- InChI
- InChI=1S/C9H8FNO4/c1-6(12)15-5-7-4-8(11(13)14)2-3-9(7)10/h2-4H,5H2,1H3
- InChI Key
- FHKBOUCIPJARGI-UHFFFAOYSA-N
- Formula
- C9H8FNO4
- SMILES
-
CC(=O)OCc1cc([N+](=O)[O-])ccc1
F - Molecular Weight1
- 213.16
- 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 | 0.6141 | Relay (1.0) Calculated Property | |
| ΔfG° | -275.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.797 | Crippen Calculated Property | |
| McVol | 140.540 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Inp | 1568.00 | NIST | |
| Tboil | 540.58 | K | Relay (1.0) Calculated Property |
| Tc | 773.65 | K | Relay (1.0) Calculated Property |
| Tfus | 320.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.506 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.57; 405.34] | J/mol×K | [669.36; 901.37] | 
|
| Cp,gas | 352.57 | J/mol×K | 669.36 | Joback Calculated Property |
| Cp,gas | 363.26 | J/mol×K | 708.03 | Joback Calculated Property |
| Cp,gas | 373.17 | J/mol×K | 746.70 | Joback Calculated Property |
| Cp,gas | 382.32 | J/mol×K | 785.36 | Joback Calculated Property |
| Cp,gas | 390.73 | J/mol×K | 824.03 | Joback Calculated Property |
| Cp,gas | 398.40 | J/mol×K | 862.70 | Joback Calculated Property |
| Cp,gas | 405.34 | J/mol×K | 901.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (2-fluoro-5-nitrophenyl)methyl ester.
Sources
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