- InChI
- InChI=1S/C20H38F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19(25)20(21,22)23/h2-18H2,1H3,(H,24,25)
- InChI Key
- ZTMLPTAIGWNQQB-UHFFFAOYSA-N
- Formula
- C20H38F3NO
- SMILES
-
CCCCCCCCCCCCCCCCCCNC(=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 | 0.9541 | Relay (1.0) Calculated Property | |
| ΔfG° | -503.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1183.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.926 | Crippen Calculated Property | |
| McVol | 309.520 | ml/mol | McGowan Calculated Property |
| Pc | 990.13 | kPa | Joback Calculated Property |
| Inp | [2245.00; 2245.00] |
|
|
| Inp | 2245.00 | NIST | |
| Inp | 2245.00 | NIST | |
| Tboil | 590.96 | K | Relay (1.0) Calculated Property |
| Tc | 749.49 | K | Relay (1.0) Calculated Property |
| Tfus | 336.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.179 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.32; 1065.93] | J/mol×K | [755.62; 926.87] |
|
| Cp,gas | 967.32 | J/mol×K | 755.62 | Joback Calculated Property |
| Cp,gas | 985.93 | J/mol×K | 784.16 | Joback Calculated Property |
| Cp,gas | 1003.61 | J/mol×K | 812.70 | Joback Calculated Property |
| Cp,gas | 1020.41 | J/mol×K | 841.25 | Joback Calculated Property |
| Cp,gas | 1036.36 | J/mol×K | 869.79 | Joback Calculated Property |
| Cp,gas | 1051.52 | J/mol×K | 898.33 | Joback Calculated Property |
| Cp,gas | 1065.93 | J/mol×K | 926.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Aminooctadecane, TFA.
Sources
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