- InChI
- InChI=1S/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3
- InChI Key
- OTYVBQZXUNBRTK-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- C=CC(C)(C)C(=O)C=C(C)C
- Molecular Weight1
- 152.23
- CAS
- 546-49-6
- Other Names
-
- Artemisia ketone
- Isoartemisia ketone
- 2,5,5-Trimethyl-2,6-heptadien-4-one
- Artemesia
- Artemesia ketone
- Hepta-1,5-dien-4-one, 3,3,6-trimethyl
- 3,3,6-trimethylhepta-1,5-dien-4-one
- 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.
- I : 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° | 66.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -138.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 2.734 | Crippen Calculated Property | |
| McVol | 144.730 | ml/mol | McGowan Calculated Property |
| Pc | 2507.52 | kPa | Joback Calculated Property |
| Inp | [1039.00; 1088.00] |
|
|
| Inp | 1061.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1064.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1061.00 | NIST | |
| Inp | 1064.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | Outlier 1088.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1061.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1061.00 | NIST | |
| Inp | 1070.00 | NIST | |
| I | [1320.00; 1358.00] |
|
|
| I | 1348.00 | NIST | |
| I | 1328.00 | NIST | |
| I | 1325.00 | NIST | |
| I | Outlier 1320.00 | NIST | |
| I | 1344.00 | NIST | |
| I | 1348.00 | NIST | |
| I | 1348.00 | NIST | |
| I | 1346.00 | NIST | |
| I | 1358.00 | NIST | |
| I | 1358.00 | NIST | |
| I | 1358.00 | NIST | |
| I | 1358.00 | NIST | |
| I | 1345.00 | NIST | |
| I | 1358.00 | NIST | |
| I | 1335.00 | NIST | |
| I | 1348.00 | NIST | |
| Tboil | 479.56 | K | Joback Calculated Property |
| Tc | 679.09 | K | Joback Calculated Property |
| Tfus | 234.01 | K | Joback Calculated Property |
| Vc | 0.552 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.37; 387.47] | J/mol×K | [479.56; 679.09] |
|
| Cp,gas | 310.37 | J/mol×K | 479.56 | Joback Calculated Property |
| Cp,gas | 325.35 | J/mol×K | 512.81 | Joback Calculated Property |
| Cp,gas | 339.41 | J/mol×K | 546.07 | Joback Calculated Property |
| Cp,gas | 352.60 | J/mol×K | 579.32 | Joback Calculated Property |
| Cp,gas | 364.97 | J/mol×K | 612.58 | Joback Calculated Property |
| Cp,gas | 376.58 | J/mol×K | 645.83 | Joback Calculated Property |
| Cp,gas | 387.47 | J/mol×K | 679.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Heptadien-4-one, 3,3,6-trimethyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.