- InChI
- InChI=1S/C11H16O2/c1-13-11-4-7-2-8(5-11)10(12)9(3-7)6-11/h7-9H,2-6H2,1H3
- InChI Key
- PKPPAWGCOMEBLA-UHFFFAOYSA-N
- Formula
- C11H16O2
- SMILES
- COC12CC3CC(C1)C(=O)C(C3)C2
- Molecular Weight1
- 180.24
- 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° | -28.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.19 | kJ/mol | Joback Calculated Property |
| log10WS | -1.87 | Crippen Calculated Property | |
| logPoct/wat | 1.781 | Crippen Calculated Property | |
| McVol | 140.710 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Inp | [1485.00; 1485.00] |
|
|
| Inp | 1485.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Tboil | 561.38 | K | Joback Calculated Property |
| Tc | 794.80 | K | Joback Calculated Property |
| Tfus | 374.14 | K | Joback Calculated Property |
| Vc | 0.536 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.96; 485.34] | J/mol×K | [561.38; 794.80] |
|
| Cp,gas | 384.96 | J/mol×K | 561.38 | Joback Calculated Property |
| Cp,gas | 404.36 | J/mol×K | 600.28 | Joback Calculated Property |
| Cp,gas | 422.47 | J/mol×K | 639.19 | Joback Calculated Property |
| Cp,gas | 439.44 | J/mol×K | 678.09 | Joback Calculated Property |
| Cp,gas | 455.46 | J/mol×K | 716.99 | Joback Calculated Property |
| Cp,gas | 470.71 | J/mol×K | 755.90 | Joback Calculated Property |
| Cp,gas | 485.34 | J/mol×K | 794.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adamantan-4-one, 1-methoxy.
Sources
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