- InChI
- InChI=1S/C13H16FNO3/c1-8(2)11(13(17)18-3)15-12(16)9-5-4-6-10(14)7-9/h4-8,11H,1-3H3,(H,15,16)
- InChI Key
- KEYDZLSZTXTTQH-UHFFFAOYSA-N
- Formula
- C13H16FNO3
- SMILES
-
COC(=O)C(NC(=O)c1cccc(F)c1)C(C
)C - Molecular Weight1
- 253.27
- 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° | -311.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -597.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.22 | kJ/mol | Joback Calculated Property |
| log10WS | -2.97 | Crippen Calculated Property | |
| logPoct/wat | 1.753 | Crippen Calculated Property | |
| McVol | 191.030 | ml/mol | McGowan Calculated Property |
| Pc | 2363.37 | kPa | Joback Calculated Property |
| Inp | 1743.00 | NIST | |
| Tboil | 707.22 | K | Joback Calculated Property |
| Tc | 916.55 | K | Joback Calculated Property |
| Tfus | 420.55 | K | Joback Calculated Property |
| Vc | 0.727 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.91; 591.20] | J/mol×K | [707.22; 916.55] | 
|
| Cp,gas | 522.91 | J/mol×K | 707.22 | Joback Calculated Property |
| Cp,gas | 536.52 | J/mol×K | 742.11 | Joback Calculated Property |
| Cp,gas | 549.21 | J/mol×K | 777.00 | Joback Calculated Property |
| Cp,gas | 561.00 | J/mol×K | 811.89 | Joback Calculated Property |
| Cp,gas | 571.92 | J/mol×K | 846.78 | Joback Calculated Property |
| Cp,gas | 581.98 | J/mol×K | 881.67 | Joback Calculated Property |
| Cp,gas | 591.20 | J/mol×K | 916.55 | Joback Calculated Property |
Similar Compounds
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Sources
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