- InChI
- InChI=1S/C10H10FNO3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14)
- InChI Key
- XBIXAJSPXHCRMH-UHFFFAOYSA-N
- Formula
- C10H10FNO3
- SMILES
- COC(=O)CNC(=O)c1ccccc1F
- Molecular Weight1
- 211.19
- 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 | 0.5928 | Relay (1.0) Calculated Property | |
| ΔfG° | -332.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.728 | Crippen Calculated Property | |
| McVol | 148.760 | ml/mol | McGowan Calculated Property |
| Pc | 3138.51 | kPa | Joback Calculated Property |
| Inp | [1611.00; 1611.00] |
|
|
| Inp | 1611.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Tboil | 561.10 | K | Relay (1.0) Calculated Property |
| Tc | 782.28 | K | Relay (1.0) Calculated Property |
| Tfus | 355.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.536 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.31; 427.98] | J/mol×K | [639.46; 850.42] |
|
| Cp,gas | 370.31 | J/mol×K | 639.46 | Joback Calculated Property |
| Cp,gas | 381.71 | J/mol×K | 674.62 | Joback Calculated Property |
| Cp,gas | 392.37 | J/mol×K | 709.78 | Joback Calculated Property |
| Cp,gas | 402.32 | J/mol×K | 744.94 | Joback Calculated Property |
| Cp,gas | 411.56 | J/mol×K | 780.10 | Joback Calculated Property |
| Cp,gas | 420.11 | J/mol×K | 815.26 | Joback Calculated Property |
| Cp,gas | 427.98 | J/mol×K | 850.42 | Joback Calculated Property |
Similar Compounds
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Sources
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