- InChI
- InChI=1S/C12H20O2/c1-9-3-10(2)6-11(13,4-9)8-12(14,5-9)7-10/h13-14H,3-8H2,1-2H3
- InChI Key
- XNTKRLBGVHQKEJ-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- CC12CC3(C)CC(O)(C1)CC(O)(C2)C3
- Molecular Weight1
- 196.29
- CAS
- 10347-01-0
- Other Names
-
- 1,3-Dimethyladamantene-5,7-diol
- 1,3-Dimethyladamantane-5,7-diol
- 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 | 0.6218 | Relay (... Calculated Property | |
| ΔfG° | -83.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.25 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 3.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.17 | kJ/mol | Relay (... Calculated Property |
| IE | 9.04 | eV | Relay (... Calculated Property |
| log10WS | -2.49 | Relay (... Calculated Property | |
| logPoct/wat | 1.843 | Crippen Calculated Property | |
| McVol | 159.100 | ml/mol | McGowan Calculated Property |
| Pc | 3791.65 | kPa | Joback Calculated Property |
| Inp | [1438.00; 1484.00] |
|
|
| Inp | 1438.00 | NIST | |
| Inp | 1451.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1438.00 | NIST | |
| Tboil | 550.35 | K | Relay (... Calculated Property |
| Tc | 796.69 | K | Relay (... Calculated Property |
| Tfus | 377.42 | K | Relay (... Calculated Property |
| Vc | 0.636 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.94; 579.87] | J/mol×K | [679.10; 888.61] |
|
| Cp,gas | 488.94 | J/mol×K | 679.10 | Joback Calculated Property |
| Cp,gas | 502.67 | J/mol×K | 714.02 | Joback Calculated Property |
| Cp,gas | 516.44 | J/mol×K | 748.94 | Joback Calculated Property |
| Cp,gas | 530.63 | J/mol×K | 783.85 | Joback Calculated Property |
| Cp,gas | 545.67 | J/mol×K | 818.77 | Joback Calculated Property |
| Cp,gas | 561.95 | J/mol×K | 853.69 | Joback Calculated Property |
| Cp,gas | 579.87 | J/mol×K | 888.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,7-Dimethyl-1,3-adamantanediol.
Sources
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