- InChI
- InChI=1S/C20H30/c1-12-5-17-7-13(1)8-18(6-12)19(17)20-9-14-2-15(10-20)4-16(3-14)11-20/h12-19H,1-11H2/t12-,13+,14-,15+,16-,17-,18+,19?,20-
- InChI Key
- PHYKSFKROCAKSA-RPOBMFEDSA-N
- Formula
- C20H30
- SMILES
-
C1C2CC3CC1CC(C2)C3C12CC3CC(CC(
C3)C1)C2 - Molecular Weight1
- 270.45
- 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° | 429.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -77.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.39 | Crippen Calculated Property | |
| logPoct/wat | 5.275 | Crippen Calculated Property | |
| McVol | 227.500 | ml/mol | McGowan Calculated Property |
| Pc | 1792.42 | kPa | Joback Calculated Property |
| Inp | [2200.00; 2279.00] |
|
|
| Inp | 2200.00 | NIST | |
| Inp | 2217.00 | NIST | |
| Inp | 2236.00 | NIST | |
| Inp | 2256.00 | NIST | |
| Inp | 2279.00 | NIST | |
| Tboil | 692.21 | K | Joback Calculated Property |
| Tc | 930.98 | K | Joback Calculated Property |
| Tfus | 426.94 | K | Joback Calculated Property |
| Vc | 0.876 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.84; 919.09] | J/mol×K | [692.21; 930.98] |
|
| Cp,gas | 768.84 | J/mol×K | 692.21 | Joback Calculated Property |
| Cp,gas | 796.73 | J/mol×K | 732.01 | Joback Calculated Property |
| Cp,gas | 822.99 | J/mol×K | 771.80 | Joback Calculated Property |
| Cp,gas | 847.99 | J/mol×K | 811.60 | Joback Calculated Property |
| Cp,gas | 872.09 | J/mol×K | 851.39 | Joback Calculated Property |
| Cp,gas | 895.67 | J/mol×K | 891.19 | Joback Calculated Property |
| Cp,gas | 919.09 | J/mol×K | 930.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2'-diadamantane.
Sources
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