- InChI
- InChI=1S/C16H28/c1-5-15-8-13(3)7-14(4,9-15)11-16(6-2,10-13)12-15/h5-12H2,1-4H3/t13-,14+,15?,16?
- InChI Key
- DEHQKWLNZJQUTD-PJPHBNEVSA-N
- Formula
- C16H28
- SMILES
-
CCC12CC3(C)CC(C)(C1)CC(CC)(C3)
C2 - Molecular Weight1
- 220.39
- 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 | 0.4257 | Relay (... Calculated Property | |
| ΔfG° | 224.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.71 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 5.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.25 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -6.04 | Relay (... Calculated Property | |
| logPoct/wat | 5.173 | Crippen Calculated Property | |
| McVol | 203.720 | ml/mol | McGowan Calculated Property |
| Pc | 2081.22 | kPa | Joback Calculated Property |
| Inp | [1390.00; 1390.00] |
|
|
| Inp | 1390.00 | NIST | |
| Inp | 1390.00 | NIST | |
| Inp | 1390.00 | NIST | |
| Tboil | 541.49 | K | Relay (... Calculated Property |
| Tc | 766.54 | K | Relay (... Calculated Property |
| Tfus | 297.89 | K | Relay (... Calculated Property |
| Vc | 0.786 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.97; 694.82] | J/mol×K | [586.26; 814.51] |
|
| Cp,gas | 569.97 | J/mol×K | 586.26 | Joback Calculated Property |
| Cp,gas | 592.76 | J/mol×K | 624.30 | Joback Calculated Property |
| Cp,gas | 614.04 | J/mol×K | 662.34 | Joback Calculated Property |
| Cp,gas | 634.36 | J/mol×K | 700.38 | Joback Calculated Property |
| Cp,gas | 654.24 | J/mol×K | 738.42 | Joback Calculated Property |
| Cp,gas | 674.22 | J/mol×K | 776.46 | Joback Calculated Property |
| Cp,gas | 694.82 | J/mol×K | 814.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-diethyl-5,7-dimethyladamantane.
Sources
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