- InChI
- InChI=1S/C14H18F3NO/c1-2-3-4-5-6-9-18-14(19)10-7-8-11(15)13(17)12(10)16/h7-8H,2-6,9H2,1H3,(H,18,19)
- InChI Key
- TWYPRTVLADKWPB-UHFFFAOYSA-N
- Formula
- C14H18F3NO
- SMILES
- CCCCCCCNC(=O)c1ccc(F)c(F)c1F
- Molecular Weight1
- 273.29
- 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 | 0.7558 | Relay (1.0) Calculated Property | |
| ΔfG° | -473.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -746.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.804 | Crippen Calculated Property | |
| McVol | 201.220 | ml/mol | McGowan Calculated Property |
| Pc | 1834.11 | kPa | Joback Calculated Property |
| Inp | [1826.00; 1826.00] |
|
|
| Inp | 1826.00 | NIST | |
| Inp | 1826.00 | NIST | |
| Tboil | 568.37 | K | Relay (1.0) Calculated Property |
| Tc | 776.65 | K | Relay (1.0) Calculated Property |
| Tfus | 320.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.64; 617.16] | J/mol×K | [663.19; 845.70] |
|
| Cp,gas | 544.64 | J/mol×K | 663.19 | Joback Calculated Property |
| Cp,gas | 558.45 | J/mol×K | 693.61 | Joback Calculated Property |
| Cp,gas | 571.54 | J/mol×K | 724.03 | Joback Calculated Property |
| Cp,gas | 583.94 | J/mol×K | 754.45 | Joback Calculated Property |
| Cp,gas | 595.66 | J/mol×K | 784.86 | Joback Calculated Property |
| Cp,gas | 606.73 | J/mol×K | 815.28 | Joback Calculated Property |
| Cp,gas | 617.16 | J/mol×K | 845.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-heptyl-.
Sources
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