- InChI
- InChI=1S/C11H18/c1-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3
- InChI Key
- UZUCFTVAWGRMTQ-UHFFFAOYSA-N
- Formula
- C11H18
- SMILES
- CC12CC3CC(CC(C3)C1)C2
- Molecular Weight1
- 150.26
- CAS
- 768-91-2
- 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).
- 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).
- 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.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | [-6663.80; -6658.00] | kJ/mol |
|
| ΔcH°solid | -6663.80 ± 1.30 | kJ/mol | NIST |
| ΔcH°solid | -6658.00 ± 2.00 | kJ/mol | NIST |
| ΔfG° | 198.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-171.70; -171.50] | kJ/mol |
|
| ΔfH°gas | -171.70 ± 2.60 | kJ/mol | NIST |
| ΔfH°gas | -171.50 ± 2.90 | kJ/mol | NIST |
| ΔfH°solid | [-243.00; -237.30] | kJ/mol |
|
| ΔfH°solid | -237.30 ± 1.30 | kJ/mol | NIST |
| ΔfH°solid | -243.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 11.32 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [65.60; 71.50] | kJ/mol |
|
| ΔsubH° | 67.57 | kJ/mol | NIST |
| ΔsubH° | 65.60 | kJ/mol | NIST |
| ΔsubH° | 68.00 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 71.50 | kJ/mol | NIST |
| ΔsubH° | 67.80 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 38.53 | kJ/mol | Joback Calculated Property |
| IE | [9.17; 9.24] | eV |
|
| IE | 9.17 ± 0.02 | eV | NIST |
| IE | 9.24 | eV | NIST |
| log10WS | -3.14 | Crippen Calculated Property | |
| logPoct/wat | 3.223 | Crippen Calculated Property | |
| McVol | 133.270 | ml/mol | McGowan Calculated Property |
| Pc | 2931.34 | kPa | Joback Calculated Property |
| Inp | [1100.00; 1179.00] |
|
|
| Inp | 1171.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1115.30 | NIST | |
| Inp | 1118.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | Outlier 1179.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1135.00 | NIST | |
| I | [1313.00; 1348.00] |
|
|
| I | 1315.00 | NIST | |
| I | 1313.00 | NIST | |
| I | 1325.00 | NIST | |
| I | 1348.00 | NIST | |
| Tboil | 471.14 | K | Joback Calculated Property |
| Tc | 691.15 | K | Joback Calculated Property |
| Tfus | 392.00 ± 3.71 | K | NIST |
| Vc | 0.511 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [319.89; 428.81] | J/mol×K | [471.14; 691.15] |
|
| Cp,gas | 319.89 | J/mol×K | 471.14 | Joback Calculated Property |
| Cp,gas | 341.86 | J/mol×K | 507.81 | Joback Calculated Property |
| Cp,gas | 362.04 | J/mol×K | 544.48 | Joback Calculated Property |
| Cp,gas | 380.64 | J/mol×K | 581.14 | Joback Calculated Property |
| Cp,gas | 397.83 | J/mol×K | 617.81 | Joback Calculated Property |
| Cp,gas | 413.83 | J/mol×K | 654.48 | Joback Calculated Property |
| Cp,gas | 428.81 | J/mol×K | 691.15 | Joback Calculated Property |
| ΔfusH | [1.47; 3.71] | kJ/mol | [169.50; 392.00] |
|
| ΔfusH | 1.91 | kJ/mol | 169.50 | NIST |
| ΔfusH | 1.47 | kJ/mol | 211.50 | NIST |
| ΔfusH | 3.71 | kJ/mol | 392.00 | NIST |
| ΔfusH | 3.71 | kJ/mol | 392.00 | NIST |
| ΔsubH | 67.60 ± 0.50 | kJ/mol | 321.00 | NIST |
| ΔfusS | [6.95; 11.27] | J/mol×K | [169.50; 392.00] |
|
| ΔfusS | 11.27 | J/mol×K | 169.50 | NIST |
| ΔfusS | 6.95 | J/mol×K | 211.50 | NIST |
| ΔfusS | 9.46 | J/mol×K | 392.00 | NIST |
Similar Compounds
Find more compounds similar to 1-Methyladamantane.
Sources
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