- InChI
- InChI=1S/C15H22/c1-15-7-9-3-11-10-2-8(5-13(11)15)6-14(15)12(10)4-9/h8-14H,2-7H2,1H3
- InChI Key
- NOMKXIVITNLMHM-UHFFFAOYSA-N
- Formula
- C15H22
- SMILES
- CC12CC3CC4C5CC(CC41)CC2C5C3
- Molecular Weight1
- 202.34
- CAS
- 26460-76-4
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -8799.40 ± 3.30 | kJ/mol | NIST |
| ΔfG° | 362.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.70 ± 3.60 | kJ/mol | NIST |
| ΔfH°solid | -247.40 ± 3.30 | kJ/mol | NIST |
| ΔfusH° | 24.30 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [80.63; 80.70] | kJ/mol |
|
| ΔsubH° | 80.63 | kJ/mol | NIST |
| ΔsubH° | 80.70 | kJ/mol | NIST |
| ΔvapH° | 46.30 | kJ/mol | Joback Calculated Property |
| log10WS | -3.64 | Crippen Calculated Property | |
| logPoct/wat | 3.715 | Crippen Calculated Property | |
| McVol | 167.910 | ml/mol | McGowan Calculated Property |
| Pc | 2295.91 | kPa | Joback Calculated Property |
| Tboil | 558.26 | K | Joback Calculated Property |
| Tc | 780.59 | K | Joback Calculated Property |
| Tfus | 363.21 | K | Joback Calculated Property |
| Vc | 0.663 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.93; 614.91] | J/mol×K | [558.26; 780.59] |
|
| Cp,gas | 492.93 | J/mol×K | 558.26 | Joback Calculated Property |
| Cp,gas | 517.05 | J/mol×K | 595.32 | Joback Calculated Property |
| Cp,gas | 539.28 | J/mol×K | 632.37 | Joback Calculated Property |
| Cp,gas | 559.91 | J/mol×K | 669.43 | Joback Calculated Property |
| Cp,gas | 579.20 | J/mol×K | 706.48 | Joback Calculated Property |
| Cp,gas | 597.44 | J/mol×K | 743.54 | Joback Calculated Property |
| Cp,gas | 614.91 | J/mol×K | 780.59 | Joback Calculated Property |
| ΔsubH | 80.70 ± 0.40 | kJ/mol | 321.50 | NIST |
Similar Compounds
Find more compounds similar to 1-Methyldiadamantane.
Sources
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