- InChI
- InChI=1S/C20H38F3NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2,3)24-18(25)20(21,22)23/h4-17H2,1-3H3,(H,24,25)
- InChI Key
- JEKGMHYUEYQSCG-UHFFFAOYSA-N
- Formula
- C20H38F3NO
- SMILES
-
CCCCCCCCCCCCCCCC(C)(C)NC(=O)C(
F)(F)F - Molecular Weight1
- 365.52
- 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 | 0.8989 | Relay (1.0) Calculated Property | |
| ΔfG° | -500.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1200.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.925 | Crippen Calculated Property | |
| McVol | 309.520 | ml/mol | McGowan Calculated Property |
| Pc | 1002.08 | kPa | Joback Calculated Property |
| Inp | [2052.00; 2052.00] |
|
|
| Inp | 2052.00 | NIST | |
| Inp | 2052.00 | NIST | |
| Tboil | 571.27 | K | Relay (1.0) Calculated Property |
| Tc | 743.74 | K | Relay (1.0) Calculated Property |
| Tfus | 321.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.160 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [968.73; 1067.05] | J/mol×K | [752.39; 925.41] |
|
| Cp,gas | 968.73 | J/mol×K | 752.39 | Joback Calculated Property |
| Cp,gas | 987.33 | J/mol×K | 781.23 | Joback Calculated Property |
| Cp,gas | 1004.96 | J/mol×K | 810.06 | Joback Calculated Property |
| Cp,gas | 1021.69 | J/mol×K | 838.90 | Joback Calculated Property |
| Cp,gas | 1037.58 | J/mol×K | 867.74 | Joback Calculated Property |
| Cp,gas | 1052.68 | J/mol×K | 896.57 | Joback Calculated Property |
| Cp,gas | 1067.05 | J/mol×K | 925.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-2-heptadecaneamine TFA.
Sources
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