- InChI
- InChI=1S/C11H18O/c1-5-6-10(4)8-11(12)7-9(2)3/h5-6,9H,1,7-8H2,2-4H3/b10-6-
- InChI Key
- MLXAHHZSXNMVJF-POHAHGRESA-N
- Formula
- C11H18O
- SMILES
- C=CC=C(C)CC(=O)CC(C)C
- Molecular Weight1
- 166.26
- 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° | 69.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -155.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.81 | kJ/mol | Joback Calculated Property |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 3.124 | Crippen Calculated Property | |
| McVol | 158.820 | ml/mol | McGowan Calculated Property |
| Pc | 2258.96 | kPa | Joback Calculated Property |
| Inp | [1170.00; 1170.00] |
|
|
| Inp | 1170.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Tboil | 505.23 | K | Joback Calculated Property |
| Tc | 694.68 | K | Joback Calculated Property |
| Tfus | 227.86 | K | Joback Calculated Property |
| Vc | 0.614 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.66; 431.75] | J/mol×K | [505.23; 694.68] |
|
| Cp,gas | 352.66 | J/mol×K | 505.23 | Joback Calculated Property |
| Cp,gas | 367.64 | J/mol×K | 536.80 | Joback Calculated Property |
| Cp,gas | 381.86 | J/mol×K | 568.38 | Joback Calculated Property |
| Cp,gas | 395.34 | J/mol×K | 599.95 | Joback Calculated Property |
| Cp,gas | 408.13 | J/mol×K | 631.53 | Joback Calculated Property |
| Cp,gas | 420.25 | J/mol×K | 663.10 | Joback Calculated Property |
| Cp,gas | 431.75 | J/mol×K | 694.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-Cyclanthone.
Sources
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