- InChI
- InChI=1S/C18H27ClFNO/c1-2-3-4-5-6-7-8-9-10-14-21-18(22)15-12-11-13-16(19)17(15)20/h11-13H,2-10,14H2,1H3,(H,21,22)
- InChI Key
- ZTFSZVVGJHCSFT-UHFFFAOYSA-N
- Formula
- C18H27ClFNO
- SMILES
- CCCCCCCCCCCNC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 327.86
- 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° | -52.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -472.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.01 | kJ/mol | Joback Calculated Property |
| log10WS | -7.02 | Crippen Calculated Property | |
| logPoct/wat | 5.740 | Crippen Calculated Property | |
| McVol | 266.280 | ml/mol | McGowan Calculated Property |
| Pc | 1422.92 | kPa | Joback Calculated Property |
| Inp | [2505.00; 2505.00] |
|
|
| Inp | 2505.00 | NIST | |
| Inp | 2505.00 | NIST | |
| Tboil | 788.62 | K | Joback Calculated Property |
| Tc | 983.65 | K | Joback Calculated Property |
| Tfus | 477.18 | K | Joback Calculated Property |
| Vc | 1.044 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [778.35; 859.15] | J/mol×K | [788.62; 983.65] |
|
| Cp,gas | 778.35 | J/mol×K | 788.62 | Joback Calculated Property |
| Cp,gas | 794.01 | J/mol×K | 821.13 | Joback Calculated Property |
| Cp,gas | 808.73 | J/mol×K | 853.63 | Joback Calculated Property |
| Cp,gas | 822.57 | J/mol×K | 886.14 | Joback Calculated Property |
| Cp,gas | 835.56 | J/mol×K | 918.64 | Joback Calculated Property |
| Cp,gas | 847.74 | J/mol×K | 951.15 | Joback Calculated Property |
| Cp,gas | 859.15 | J/mol×K | 983.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-undecyl-.
Sources
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