- InChI
- InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,12H,5-6,8-10H2,1-4H3
- InChI Key
- LGVYUZVANMHKHV-UHFFFAOYSA-N
- Formula
- C13H24O
- SMILES
- CC(=O)CCCC(C)CCC=C(C)C
- Molecular Weight1
- 196.33
- CAS
- 4433-36-7
- Other Names
-
- Citronellylacetone
- 3,4,5,6-Tetrahydropseudoionone
- Dihydrogeranylacetone
- 6,10-Dimethyl-9-undecen-2-one
- 6,10-dimethylundec-9-en-2-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.
- 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° | -1.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.16 | Crippen Calculated Property | |
| logPoct/wat | 4.128 | Crippen Calculated Property | |
| McVol | 191.300 | ml/mol | McGowan Calculated Property |
| Pc | 1829.41 | kPa | Joback Calculated Property |
| Inp | [1329.00; 1424.00] |
|
|
| Inp | 1329.00 | NIST | |
| Inp | 1424.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1424.00 | NIST | |
| Tboil | 554.31 | K | Joback Calculated Property |
| Tc | 736.14 | K | Joback Calculated Property |
| Tfus | 252.16 | K | Joback Calculated Property |
| Vc | 0.745 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.90; 557.71] | J/mol×K | [554.31; 736.14] |
|
| Cp,gas | 467.90 | J/mol×K | 554.31 | Joback Calculated Property |
| Cp,gas | 484.75 | J/mol×K | 584.61 | Joback Calculated Property |
| Cp,gas | 500.81 | J/mol×K | 614.92 | Joback Calculated Property |
| Cp,gas | 516.11 | J/mol×K | 645.22 | Joback Calculated Property |
| Cp,gas | 530.67 | J/mol×K | 675.53 | Joback Calculated Property |
| Cp,gas | 544.53 | J/mol×K | 705.83 | Joback Calculated Property |
| Cp,gas | 557.71 | J/mol×K | 736.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-Undecen-2-one, 6,10-dimethyl-.
Sources
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