- InChI
- InChI=1S/C10H8F3NO3/c1-17-7(15)4-14-10(16)5-2-3-6(11)9(13)8(5)12/h2-3H,4H2,1H3,(H,14,16)
- InChI Key
- KEBJVTNUWUBQGP-UHFFFAOYSA-N
- Formula
- C10H8F3NO3
- SMILES
- COC(=O)CNC(=O)c1ccc(F)c(F)c1F
- Molecular Weight1
- 247.17
- 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 | 0.6384 | Relay (1.0) Calculated Property | |
| ΔfG° | -741.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -960.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.007 | Crippen Calculated Property | |
| McVol | 152.300 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| Inp | [1554.00; 1554.00] |
|
|
| Inp | 1554.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Tboil | 546.28 | K | Relay (1.0) Calculated Property |
| Tc | 759.25 | K | Relay (1.0) Calculated Property |
| Tfus | 353.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.555 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.12; 435.66] | J/mol×K | [647.96; 843.40] |
|
| Cp,gas | 384.12 | J/mol×K | 647.96 | Joback Calculated Property |
| Cp,gas | 394.15 | J/mol×K | 680.53 | Joback Calculated Property |
| Cp,gas | 403.60 | J/mol×K | 713.11 | Joback Calculated Property |
| Cp,gas | 412.47 | J/mol×K | 745.68 | Joback Calculated Property |
| Cp,gas | 420.77 | J/mol×K | 778.25 | Joback Calculated Property |
| Cp,gas | 428.50 | J/mol×K | 810.82 | Joback Calculated Property |
| Cp,gas | 435.66 | J/mol×K | 843.40 | Joback Calculated Property |
Similar Compounds
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Sources
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