- InChI
- InChI=1S/C12H16F3NO/c13-12(14,15)11(17)16-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H,16,17)
- InChI Key
- RNQNAVNYZPAYBC-UHFFFAOYSA-N
- Formula
- C12H16F3NO
- SMILES
-
O=C(NC1C2CC3CC(C2)CC1C3)C(F)(F
)F - Molecular Weight1
- 247.26
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -416.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.03 | kJ/mol | Joback Calculated Property |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 2.490 | Crippen Calculated Property | |
| McVol | 164.220 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | [1503.00; 1503.00] |
|
|
| Inp | 1503.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Tboil | 587.73 | K | Joback Calculated Property |
| Tc | 786.67 | K | Joback Calculated Property |
| Tfus | 373.60 | K | Joback Calculated Property |
| Vc | 0.652 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.70; 574.28] | J/mol×K | [587.73; 786.67] |
|
| Cp,gas | 482.70 | J/mol×K | 587.73 | Joback Calculated Property |
| Cp,gas | 500.81 | J/mol×K | 620.89 | Joback Calculated Property |
| Cp,gas | 517.66 | J/mol×K | 654.04 | Joback Calculated Property |
| Cp,gas | 533.34 | J/mol×K | 687.20 | Joback Calculated Property |
| Cp,gas | 547.94 | J/mol×K | 720.36 | Joback Calculated Property |
| Cp,gas | 561.55 | J/mol×K | 753.51 | Joback Calculated Property |
| Cp,gas | 574.28 | J/mol×K | 786.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Adamantylamine, N-trifluoroacetyl-.
Sources
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