- InChI
- InChI=1S/C13H17F2NO/c1-8(2)6-7-16-13(17)11-10(14)5-4-9(3)12(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,17)
- InChI Key
- BXZVTWXFNMPXOI-UHFFFAOYSA-N
- Formula
- C13H17F2NO
- SMILES
- Cc1ccc(F)c(C(=O)NCCC(C)C)c1F
- Molecular Weight1
- 241.28
- 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° | -289.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -566.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.95 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 3.049 | Crippen Calculated Property | |
| McVol | 185.360 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | [1799.00; 1799.00] |
|
|
| Inp | 1799.00 | NIST | |
| Inp | 1799.00 | NIST | |
| Tboil | 640.60 | K | Joback Calculated Property |
| Tc | 834.97 | K | Joback Calculated Property |
| Tfus | 389.02 | K | Joback Calculated Property |
| Vc | 0.727 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.44; 559.12] | J/mol×K | [640.60; 834.97] |
|
| Cp,gas | 485.44 | J/mol×K | 640.60 | Joback Calculated Property |
| Cp,gas | 499.56 | J/mol×K | 673.00 | Joback Calculated Property |
| Cp,gas | 512.91 | J/mol×K | 705.39 | Joback Calculated Property |
| Cp,gas | 525.53 | J/mol×K | 737.79 | Joback Calculated Property |
| Cp,gas | 537.42 | J/mol×K | 770.18 | Joback Calculated Property |
| Cp,gas | 548.61 | J/mol×K | 802.58 | Joback Calculated Property |
| Cp,gas | 559.12 | J/mol×K | 834.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,6-difluoro-3-methyl-N-3-methylbutyl-.
Sources
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