- InChI
- InChI=1S/C15H21F2NO/c1-3-4-5-6-7-10-18-15(19)13-12(16)9-8-11(2)14(13)17/h8-9H,3-7,10H2,1-2H3,(H,18,19)
- InChI Key
- NDVIGQCUVHFMSZ-UHFFFAOYSA-N
- Formula
- C15H21F2NO
- SMILES
- CCCCCCCNC(=O)c1c(F)ccc(C)c1F
- Molecular Weight1
- 269.33
- 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 | 0.7649 | Relay (1.0) Calculated Property | |
| ΔfG° | -270.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -620.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.973 | Crippen Calculated Property | |
| McVol | 213.540 | ml/mol | McGowan Calculated Property |
| Pc | 1756.54 | kPa | Joback Calculated Property |
| Inp | [2056.00; 2056.00] |
|
|
| Inp | 2056.00 | NIST | |
| Inp | 2056.00 | NIST | |
| Tboil | 587.97 | K | Relay (1.0) Calculated Property |
| Tc | 813.00 | K | Relay (1.0) Calculated Property |
| Tfus | 334.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.789 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.69; 667.44] | J/mol×K | [686.80; 874.61] |
|
| Cp,gas | 589.69 | J/mol×K | 686.80 | Joback Calculated Property |
| Cp,gas | 604.55 | J/mol×K | 718.10 | Joback Calculated Property |
| Cp,gas | 618.61 | J/mol×K | 749.40 | Joback Calculated Property |
| Cp,gas | 631.90 | J/mol×K | 780.70 | Joback Calculated Property |
| Cp,gas | 644.46 | J/mol×K | 812.01 | Joback Calculated Property |
| Cp,gas | 656.30 | J/mol×K | 843.31 | Joback Calculated Property |
| Cp,gas | 667.44 | J/mol×K | 874.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,6-difluoro-3-methyl-N-heptyl-.
Sources
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