- InChI
- InChI=1S/C27H46FNO/c1-3-5-7-9-11-13-15-17-22-29(23-18-16-14-12-10-8-6-4-2)27(30)25-20-19-21-26(28)24-25/h19-21,24H,3-18,22-23H2,1-2H3
- InChI Key
- KIAUCYKTJAMNKG-UHFFFAOYSA-N
- Formula
- C27H46FNO
- SMILES
-
CCCCCCCCCCN(CCCCCCCCCC)C(=O)c1
cccc(F)c1 - Molecular Weight1
- 419.66
- 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 | 1.1389 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -676.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.549 | Crippen Calculated Property | |
| McVol | 380.850 | ml/mol | McGowan Calculated Property |
| Pc | 826.69 | kPa | Joback Calculated Property |
| Inp | [2957.00; 2957.00] |
|
|
| Inp | 2957.00 | NIST | |
| Inp | 2957.00 | NIST | |
| Tboil | 680.04 | K | Relay (1.0) Calculated Property |
| Tc | 878.78 | K | Relay (1.0) Calculated Property |
| Tfus | 307.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.434 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1275.42; 1382.31] | J/mol×K | [914.40; 1119.72] |
|
| Cp,gas | 1275.42 | J/mol×K | 914.40 | Joback Calculated Property |
| Cp,gas | 1296.11 | J/mol×K | 948.62 | Joback Calculated Property |
| Cp,gas | 1315.54 | J/mol×K | 982.84 | Joback Calculated Property |
| Cp,gas | 1333.80 | J/mol×K | 1017.06 | Joback Calculated Property |
| Cp,gas | 1350.95 | J/mol×K | 1051.28 | Joback Calculated Property |
| Cp,gas | 1367.09 | J/mol×K | 1085.50 | Joback Calculated Property |
| Cp,gas | 1382.31 | J/mol×K | 1119.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-didecyl-3-fluoro-.
Sources
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