- InChI
- InChI=1S/C23H37F2NO/c1-5-9-11-18(7-3)16-26(17-19(8-4)12-10-6-2)23(27)21-14-13-20(24)15-22(21)25/h13-15,18-19H,5-12,16-17H2,1-4H3
- InChI Key
- DCATWGDKIKSJCY-UHFFFAOYSA-N
- Formula
- C23H37F2NO
- SMILES
-
CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1
ccc(F)cc1F - Molecular Weight1
- 381.54
- 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 | 0.8958 | Relay (1.0) Calculated Property | |
| ΔfG° | -176.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -784.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.840 | Crippen Calculated Property | |
| McVol | 326.260 | ml/mol | McGowan Calculated Property |
| Pc | 1015.53 | kPa | Joback Calculated Property |
| Inp | [2321.00; 2321.00] |
|
|
| Inp | 2321.00 | NIST | |
| Inp | 2321.00 | NIST | |
| Tboil | 647.35 | K | Relay (1.0) Calculated Property |
| Tc | 835.61 | K | Relay (1.0) Calculated Property |
| Tfus | 274.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.180 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1033.24; 1130.47] | J/mol×K | [826.25; 1016.00] |
|
| Cp,gas | 1033.24 | J/mol×K | 826.25 | Joback Calculated Property |
| Cp,gas | 1052.00 | J/mol×K | 857.87 | Joback Calculated Property |
| Cp,gas | 1069.66 | J/mol×K | 889.50 | Joback Calculated Property |
| Cp,gas | 1086.29 | J/mol×K | 921.12 | Joback Calculated Property |
| Cp,gas | 1101.93 | J/mol×K | 952.75 | Joback Calculated Property |
| Cp,gas | 1116.64 | J/mol×K | 984.37 | Joback Calculated Property |
| Cp,gas | 1130.47 | J/mol×K | 1016.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzamide, N,N-di(2-ethylhexyl)-.
Sources
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