- InChI
- InChI=1S/C9H9F2NO/c1-2-12-9(13)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
- InChI Key
- ZOTHBTVQULJABH-UHFFFAOYSA-N
- Formula
- C9H9F2NO
- SMILES
- CCNC(=O)c1ccc(F)c(F)c1
- Molecular Weight1
- 185.17
- 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° | -311.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -466.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 1.715 | Crippen Calculated Property | |
| McVol | 129.000 | ml/mol | McGowan Calculated Property |
| Pc | 3103.64 | kPa | Joback Calculated Property |
| Inp | [1450.00; 1450.00] |
|
|
| Inp | 1450.00 | NIST | |
| Inp | 1450.00 | NIST | |
| Tboil | 544.54 | K | Joback Calculated Property |
| Tc | 744.55 | K | Joback Calculated Property |
| Tfus | 346.42 | K | Joback Calculated Property |
| Vc | 0.508 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.13; 352.11] | J/mol×K | [544.54; 744.55] |
|
| Cp,gas | 294.13 | J/mol×K | 544.54 | Joback Calculated Property |
| Cp,gas | 305.28 | J/mol×K | 577.88 | Joback Calculated Property |
| Cp,gas | 315.81 | J/mol×K | 611.21 | Joback Calculated Property |
| Cp,gas | 325.75 | J/mol×K | 644.55 | Joback Calculated Property |
| Cp,gas | 335.09 | J/mol×K | 677.88 | Joback Calculated Property |
| Cp,gas | 343.88 | J/mol×K | 711.22 | Joback Calculated Property |
| Cp,gas | 352.11 | J/mol×K | 744.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3,4-difluoro-N-ethyl-.
Sources
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