- InChI
- InChI=1S/C13H17F2NO/c1-3-4-5-8-16-13(17)11-10(14)7-6-9(2)12(11)15/h6-7H,3-5,8H2,1-2H3,(H,16,17)
- InChI Key
- VMFIAEOYUAKDLC-UHFFFAOYSA-N
- Formula
- C13H17F2NO
- SMILES
- CCCCCNC(=O)c1c(F)ccc(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° | -287.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.34 | kJ/mol | Joback Calculated Property |
| log10WS | -4.63 | Crippen Calculated Property | |
| logPoct/wat | 3.193 | Crippen Calculated Property | |
| McVol | 185.360 | ml/mol | McGowan Calculated Property |
| Pc | 2077.43 | kPa | Joback Calculated Property |
| Inp | 1819.00 | NIST | |
| Tboil | 641.04 | K | Joback Calculated Property |
| Tc | 832.08 | K | Joback Calculated Property |
| Tfus | 404.02 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.97; 557.47] | J/mol×K | [641.04; 832.08] | 
|
| Cp,gas | 484.97 | J/mol×K | 641.04 | Joback Calculated Property |
| Cp,gas | 498.81 | J/mol×K | 672.88 | Joback Calculated Property |
| Cp,gas | 511.92 | J/mol×K | 704.72 | Joback Calculated Property |
| Cp,gas | 524.32 | J/mol×K | 736.56 | Joback Calculated Property |
| Cp,gas | 536.03 | J/mol×K | 768.40 | Joback Calculated Property |
| Cp,gas | 547.07 | J/mol×K | 800.24 | Joback Calculated Property |
| Cp,gas | 557.47 | J/mol×K | 832.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluoro-3-methylbenzamide, N-pentyl-.
Sources
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