- InChI
- InChI=1S/C13H18N2/c1-2-14-15(3-1)13-7-10-4-11(8-13)6-12(5-10)9-13/h1-3,10-12H,4-9H2
- InChI Key
- TWAYEKHIDSYYHV-UHFFFAOYSA-N
- Formula
- C13H18N2
- SMILES
- c1cnn(C23CC4CC(CC(C4)C2)C3)c1
- Molecular Weight1
- 202.30
- CAS
- 92234-54-3
- Other Names
-
- 1-(1-adamantyl)pyrazole
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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 | 0.4211 | Relay (... Calculated Property | |
| PAff | 954.50 | kJ/mol | NIST |
| BasG | 922.40 | kJ/mol | NIST |
| ΔfG° | 339.60 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 67.44 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 74.46 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -3.71 | Relay (... Calculated Property | |
| logPoct/wat | 2.808 | Crippen Calculated Property | |
| McVol | 161.950 | ml/mol | McGowan Calculated Property |
| Pc | 2906.55 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 585.30 | K | Relay (... Calculated Property |
| Tc | 859.23 | K | Relay (... Calculated Property |
| Tfus | 470.51 | K | Relay (... Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-(Adamantan-1-yl)pyrazole.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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