- InChI
- InChI=1S/C17H24F3NO/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)21-16(22)17(18,19)20/h10-13H,2-9H2,1H3,(H,21,22)
- InChI Key
- GPSNDNFCOJHFHM-UHFFFAOYSA-N
- Formula
- C17H24F3NO
- SMILES
-
CCCCCCCCCc1ccc(NC(=O)C(F)(F)F)
cc1 - Molecular Weight1
- 315.37
- Other Names
-
- 4-Nonylaniline, TFA
- 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).
- 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 | 0.7920 | Relay (1.0) Calculated Property | |
| ΔfG° | -426.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -909.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.481 | Crippen Calculated Property | |
| McVol | 243.490 | ml/mol | McGowan Calculated Property |
| Pc | 1509.33 | kPa | Joback Calculated Property |
| Tboil | 597.05 | K | Relay (1.0) Calculated Property |
| Tc | 785.24 | K | Relay (1.0) Calculated Property |
| Tfus | 335.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.892 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.38; 791.60] | J/mol×K | [718.64; 904.16] | 
|
| Cp,gas | 710.38 | J/mol×K | 718.64 | Joback Calculated Property |
| Cp,gas | 726.05 | J/mol×K | 749.56 | Joback Calculated Property |
| Cp,gas | 740.81 | J/mol×K | 780.48 | Joback Calculated Property |
| Cp,gas | 754.69 | J/mol×K | 811.40 | Joback Calculated Property |
| Cp,gas | 767.75 | J/mol×K | 842.32 | Joback Calculated Property |
| Cp,gas | 780.03 | J/mol×K | 873.24 | Joback Calculated Property |
| Cp,gas | 791.60 | J/mol×K | 904.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nonylaniline, N-trifluoroacetyl-.
Sources
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