- InChI
- InChI=1S/C13H22/c1-9-10-4-12(2)5-11(9)7-13(3,6-10)8-12/h9-11H,4-8H2,1-3H3
- InChI Key
- NTCDHPNMXULVMK-UHFFFAOYSA-N
- Formula
- C13H22
- SMILES
- CC1C2CC3(C)CC1CC(C)(C2)C3
- Molecular Weight1
- 178.31
- CAS
- 24139-37-5
- 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 | 0.3670 | Relay (... Calculated Property | |
| ΔfG° | 202.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.42 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 11.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.88 | kJ/mol | Relay (... Calculated Property |
| IE | 9.08 | eV | Relay (... Calculated Property |
| log10WS | -5.97 | Relay (... Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 161.450 | ml/mol | McGowan Calculated Property |
| Pc | 2433.84 | kPa | Joback Calculated Property |
| Inp | 1189.00 | NIST | |
| Tboil | 490.88 | K | Relay (... Calculated Property |
| Tc | 718.52 | K | Relay (... Calculated Property |
| Tfus | 241.14 | K | Relay (... Calculated Property |
| Vc | 0.614 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.67; 534.37] | J/mol×K | [512.47; 734.57] | 
|
| Cp,gas | 417.67 | J/mol×K | 512.47 | Joback Calculated Property |
| Cp,gas | 440.84 | J/mol×K | 549.49 | Joback Calculated Property |
| Cp,gas | 462.14 | J/mol×K | 586.50 | Joback Calculated Property |
| Cp,gas | 481.85 | J/mol×K | 623.52 | Joback Calculated Property |
| Cp,gas | 500.27 | J/mol×K | 660.54 | Joback Calculated Property |
| Cp,gas | 517.68 | J/mol×K | 697.56 | Joback Calculated Property |
| Cp,gas | 534.37 | J/mol×K | 734.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,6-Trimethyladamantane.
Sources
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