- InChI
- InChI=1S/C14H19F2NO/c1-2-3-4-5-6-9-17-14(18)11-7-8-12(15)13(16)10-11/h7-8,10H,2-6,9H2,1H3,(H,17,18)
- InChI Key
- MRMMODXOOVRURO-UHFFFAOYSA-N
- Formula
- C14H19F2NO
- SMILES
- CCCCCCCNC(=O)c1ccc(F)c(F)c1
- Molecular Weight1
- 255.30
- 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 | 0.7433 | Relay (1.0) Calculated Property | |
| ΔfG° | -269.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -601.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.665 | Crippen Calculated Property | |
| McVol | 199.450 | ml/mol | McGowan Calculated Property |
| Pc | 1932.13 | kPa | Joback Calculated Property |
| Inp | [1934.00; 1934.00] |
|
|
| Inp | 1934.00 | NIST | |
| Inp | 1934.00 | NIST | |
| Tboil | 575.93 | K | Relay (1.0) Calculated Property |
| Tc | 787.53 | K | Relay (1.0) Calculated Property |
| Tfus | 310.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.738 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [537.22; 613.11] | J/mol×K | [658.94; 847.31] |
|
| Cp,gas | 537.22 | J/mol×K | 658.94 | Joback Calculated Property |
| Cp,gas | 551.75 | J/mol×K | 690.34 | Joback Calculated Property |
| Cp,gas | 565.49 | J/mol×K | 721.73 | Joback Calculated Property |
| Cp,gas | 578.47 | J/mol×K | 753.13 | Joback Calculated Property |
| Cp,gas | 590.72 | J/mol×K | 784.52 | Joback Calculated Property |
| Cp,gas | 602.25 | J/mol×K | 815.92 | Joback Calculated Property |
| Cp,gas | 613.11 | J/mol×K | 847.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3,4-difluoro-N-heptyl-.
Sources
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