- InChI
- InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9,13H,2,5-7,10H2,1,3-4H3/b9-8+
- InChI Key
- VBPVRSYPVFNWFV-CMDGGOBGSA-N
- Formula
- C14H22O
- SMILES
- C=C1CCCC(C)(C)C1C=CC(=O)CC
- Molecular Weight1
- 206.32
- CAS
- 27417-37-4
- Other Names
-
- 4-(2,2-dimethyl-6-methylenecyclohexyl)but-3-en-2-one, monomethyl derivative
- 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° | 82.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -194.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.59 | kJ/mol | Joback Calculated Property |
| log10WS | -4.08 | Crippen Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| McVol | 190.230 | ml/mol | McGowan Calculated Property |
| Pc | 2045.61 | kPa | Joback Calculated Property |
| Inp | [1466.00; 1478.00] |
|
|
| Inp | 1466.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Tboil | 592.03 | K | Joback Calculated Property |
| Tc | 805.16 | K | Joback Calculated Property |
| Tfus | 333.11 | K | Joback Calculated Property |
| Vc | 0.720 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.23; 590.20] | J/mol×K | [592.03; 805.16] |
|
| Cp,gas | 488.23 | J/mol×K | 592.03 | Joback Calculated Property |
| Cp,gas | 507.56 | J/mol×K | 627.55 | Joback Calculated Property |
| Cp,gas | 525.80 | J/mol×K | 663.07 | Joback Calculated Property |
| Cp,gas | 543.06 | J/mol×K | 698.59 | Joback Calculated Property |
| Cp,gas | 559.47 | J/mol×K | 734.12 | Joback Calculated Property |
| Cp,gas | 575.14 | J/mol×K | 769.64 | Joback Calculated Property |
| Cp,gas | 590.20 | J/mol×K | 805.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «gamma»-Methylionone.
Sources
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