- InChI
- InChI=1S/C20H30/c1-13-2-15-3-14(1)8-19(7-13,9-15)20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2
- InChI Key
- MPXKIFWZOQVOLN-UHFFFAOYSA-N
- Formula
- C20H30
- SMILES
-
C1C2CC3CC1CC(C14CC5CC(CC(C5)C1
)C4)(C2)C3 - Molecular Weight1
- 270.45
- CAS
- 3732-31-8
- Other Names
-
- 1,1'-Biadamantane
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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° | 431.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -41.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 1.15 | kJ/mol | Investi... |
| ΔsubH° | 113.80 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 57.02 | kJ/mol | Joback Calculated Property |
| log10WS | -5.63 | Crippen Calculated Property | |
| logPoct/wat | 5.419 | Crippen Calculated Property | |
| McVol | 227.500 | ml/mol | McGowan Calculated Property |
| Pc | 1916.94 | kPa | Joback Calculated Property |
| Inp | [2227.00; 2309.00] |
|
|
| Inp | 2227.00 | NIST | |
| Inp | 2245.00 | NIST | |
| Inp | 2266.00 | NIST | |
| Inp | 2286.00 | NIST | |
| Inp | 2309.00 | NIST | |
| Tboil | 697.12 | K | Joback Calculated Property |
| Tc | 944.73 | K | Joback Calculated Property |
| Tfus | 455.08 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [763.17; 922.34] | J/mol×K | [697.12; 944.73] |
|
| Cp,gas | 763.17 | J/mol×K | 697.12 | Joback Calculated Property |
| Cp,gas | 790.95 | J/mol×K | 738.39 | Joback Calculated Property |
| Cp,gas | 817.50 | J/mol×K | 779.66 | Joback Calculated Property |
| Cp,gas | 843.36 | J/mol×K | 820.93 | Joback Calculated Property |
| Cp,gas | 869.09 | J/mol×K | 862.20 | Joback Calculated Property |
| Cp,gas | 895.23 | J/mol×K | 903.46 | Joback Calculated Property |
| Cp,gas | 922.34 | J/mol×K | 944.73 | Joback Calculated Property |
| ΔfusH | 70.00 ± 10.00 | kJ/mol | 561.00 | NIST |
| ΔsubH | 109.10 ± 1.30 | kJ/mol | 418.00 | NIST |
Similar Compounds
Find more compounds similar to 1,1'-diadamantane.
Sources
- Crippen Method
- Crippen Method
- Investigation of thermodynamic properties of 1,1'-biadamantane
- Joback Method
- McGowan Method
- NIST Webbook
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