- InChI
- InChI=1S/C21H34FNO/c1-3-5-7-9-11-16-23(17-12-10-8-6-4-2)21(24)19-14-13-15-20(22)18-19/h13-15,18H,3-12,16-17H2,1-2H3
- InChI Key
- XLDIBWYPPYQHJF-UHFFFAOYSA-N
- Formula
- C21H34FNO
- SMILES
-
CCCCCCCN(CCCCCCC)C(=O)c1cccc(F
)c1 - Molecular Weight1
- 335.50
- 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° | 15.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -492.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.25 | kJ/mol | Joback Calculated Property |
| log10WS | -6.97 | Crippen Calculated Property | |
| logPoct/wat | 6.209 | Crippen Calculated Property | |
| McVol | 296.310 | ml/mol | McGowan Calculated Property |
| Pc | 1187.42 | kPa | Joback Calculated Property |
| Inp | [2340.00; 2340.00] |
|
|
| Inp | 2340.00 | NIST | |
| Inp | 2340.00 | NIST | |
| Tboil | 777.12 | K | Joback Calculated Property |
| Tc | 963.23 | K | Joback Calculated Property |
| Tfus | 448.36 | K | Joback Calculated Property |
| Vc | 1.145 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [904.17; 1000.00] | J/mol×K | [777.12; 963.23] |
|
| Cp,gas | 904.17 | J/mol×K | 777.12 | Joback Calculated Property |
| Cp,gas | 922.53 | J/mol×K | 808.14 | Joback Calculated Property |
| Cp,gas | 939.87 | J/mol×K | 839.16 | Joback Calculated Property |
| Cp,gas | 956.24 | J/mol×K | 870.17 | Joback Calculated Property |
| Cp,gas | 971.68 | J/mol×K | 901.19 | Joback Calculated Property |
| Cp,gas | 986.25 | J/mol×K | 932.21 | Joback Calculated Property |
| Cp,gas | 1000.00 | J/mol×K | 963.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-diheptyl-3-fluoro-.
Sources
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