- InChI
- InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3/b9-7-
- InChI Key
- RJXKHBTYHGBOKV-CLFYSBASSA-N
- Formula
- C10H16O
- SMILES
- C=CC(C)=CC(=O)CC(C)C
- Molecular Weight1
- 152.23
- CAS
- 3588-18-9
- Other Names
-
- cis-Tagetone
- Tagetone (Z)
- (Z)-5,7-Octadien-4-one, 3,6-dimethyl
- (Z)-Tagetone
- (Z)-2,6-Dimethylocta-5,7-dien-4-one
- trans-Tagetone
- (5E)-2,6-Dimethyl-5,7-octadien-4-one
- (E)-Tagetone
- (E)-2,6-Dimethylocta-5,7-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° | 61.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -134.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.58 | 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 | 2480.12 | kPa | Joback Calculated Property |
| Inp | [1120.00; 1163.00] |
|
|
| Inp | 1140.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1120.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1120.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1134.00 | NIST | |
| I | [1459.00; 1522.00] |
|
|
| I | 1459.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1517.00 | NIST | |
| I | 1522.00 | NIST | |
| I | 1501.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1459.00 | NIST | |
| Tboil | 482.35 | K | Joback Calculated Property |
| Tc | 674.03 | K | Joback Calculated Property |
| Tfus | 216.59 | K | Joback Calculated Property |
| Vc | 0.557 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.71; 382.25] | J/mol×K | [482.35; 674.03] |
|
| Cp,gas | 307.71 | J/mol×K | 482.35 | Joback Calculated Property |
| Cp,gas | 321.86 | J/mol×K | 514.30 | Joback Calculated Property |
| Cp,gas | 335.28 | J/mol×K | 546.24 | Joback Calculated Property |
| Cp,gas | 347.99 | J/mol×K | 578.19 | Joback Calculated Property |
| Cp,gas | 360.04 | J/mol×K | 610.14 | Joback Calculated Property |
| Cp,gas | 371.44 | J/mol×K | 642.09 | Joback Calculated Property |
| Cp,gas | 382.25 | J/mol×K | 674.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,7-Octadien-4-one, 2,6-dimethyl-, (Z)-.
Sources
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