- InChI
- InChI=1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m0/s1
- InChI Key
- GIGKXOAUYMWORB-CCUNJIBTSA-N
- Formula
- C15H22O
- SMILES
- CC1=C2CC3CCC(C)C2(CC1=O)C3(C)C
- Molecular Weight1
- 218.33
- CAS
- 3466-15-7
- 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° | 102.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.32 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 3.738 | Crippen Calculated Property | |
| McVol | 186.900 | ml/mol | McGowan Calculated Property |
| Pc | 2224.99 | kPa | Joback Calculated Property |
| Inp | [1680.00; 1717.60] |
|
|
| Inp | Outlier 1717.60 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1694.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Tboil | 644.11 | K | Joback Calculated Property |
| Tc | 883.54 | K | Joback Calculated Property |
| Tfus | 443.17 | K | Joback Calculated Property |
| Vc | 0.719 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.11; 658.57] | J/mol×K | [644.11; 883.54] |
|
| Cp,gas | 541.11 | J/mol×K | 644.11 | Joback Calculated Property |
| Cp,gas | 562.10 | J/mol×K | 684.01 | Joback Calculated Property |
| Cp,gas | 582.11 | J/mol×K | 723.92 | Joback Calculated Property |
| Cp,gas | 601.45 | J/mol×K | 763.82 | Joback Calculated Property |
| Cp,gas | 620.44 | J/mol×K | 803.73 | Joback Calculated Property |
| Cp,gas | 639.37 | J/mol×K | 843.63 | Joback Calculated Property |
| Cp,gas | 658.57 | J/mol×K | 883.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyperotundone.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.