- InChI
- InChI=1S/C12H19NO/c1-7(14)13-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-6H2,1H3,(H,13,14)
- InChI Key
- OFEZUSBZKMXQEU-UHFFFAOYSA-N
- Formula
- C12H19NO
- SMILES
- CC(=O)NC1C2CC3CC(C2)CC1C3
- Molecular Weight1
- 193.29
- CAS
- 52917-72-3
- 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° | 165.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.64 | Crippen Calculated Property | |
| logPoct/wat | 1.947 | Crippen Calculated Property | |
| McVol | 158.910 | ml/mol | McGowan Calculated Property |
| Pc | 2643.39 | kPa | Joback Calculated Property |
| Inp | 1761.00 | NIST | |
| Tboil | 593.15 | K | Joback Calculated Property |
| Tc | 809.47 | K | Joback Calculated Property |
| Tfus | 369.41 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.59; 556.06] | J/mol×K | [593.15; 809.47] | 
|
| Cp,gas | 455.59 | J/mol×K | 593.15 | Joback Calculated Property |
| Cp,gas | 475.34 | J/mol×K | 629.20 | Joback Calculated Property |
| Cp,gas | 493.76 | J/mol×K | 665.26 | Joback Calculated Property |
| Cp,gas | 510.94 | J/mol×K | 701.31 | Joback Calculated Property |
| Cp,gas | 526.99 | J/mol×K | 737.36 | Joback Calculated Property |
| Cp,gas | 541.99 | J/mol×K | 773.42 | Joback Calculated Property |
| Cp,gas | 556.06 | J/mol×K | 809.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Adamantylamine, N-acetyl-.
Sources
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