- InChI
- InChI=1S/C20H38F3NO/c1-4-6-8-10-11-12-13-15-17-19(3,16-14-9-7-5-2)24-18(25)20(21,22)23/h4-17H2,1-3H3,(H,24,25)
- InChI Key
- RSUQPQOQCUIJKF-UHFFFAOYSA-N
- Formula
- C20H38F3NO
- SMILES
-
CCCCCCCCCCC(C)(CCCCCC)NC(=O)C(
F)(F)F - Molecular Weight1
- 365.52
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 | 0.8776 | Relay (1.0) Calculated Property | |
| ΔfusH° | 48.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.97 | kJ/mol | 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 | [1975.00; 1975.00] |
|
|
| Inp | 1975.00 | NIST | |
| Inp | 1975.00 | NIST | |
| Tboil | 574.49 | K | Relay (1.0) Calculated Property |
| Tc | 743.76 | K | Relay (1.0) Calculated Property |
| Tfus | 293.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.142 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.54; 1101.20] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.98160e+01 | |||
| Coefficient B | 2.23906e+00 | |||
| Coefficient C | -1.48690e-03 | |||
| Coefficient D | 3.88860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 468.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 583.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 684.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 772.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 848.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 915.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 972.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1021.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1064.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1101.20 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 7-Methyl-7-heptadecaneamine TFA.
Sources
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