- InChI
- InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9-
- InChI Key
- HNZUNIKWNYHEJJ-XFXZXTDPSA-N
- Formula
- C13H22O
- SMILES
- CC(=O)CCC=C(C)CCC=C(C)C
- Molecular Weight1
- 194.31
- CAS
- 3879-26-3
- Other Names
-
- cis-Geranylacetone
- Nerylacetone
- cis-6,10-dimethyl-5,9-undecadien-2-one
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4755 | Relay (1.0) Calculated Property | |
| ΔfG° | 73.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.048 | Crippen Calculated Property | |
| McVol | 187.000 | ml/mol | McGowan Calculated Property |
| Pc | 1908.57 | kPa | Joback Calculated Property |
| Inp | [1412.00; 1457.00] |
|
|
| Inp | Outlier 1412.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | 1427.00 | NIST | |
| Inp | 1434.00 | NIST | |
| Inp | 1457.00 | NIST | |
| Inp | 1431.00 | NIST | |
| Inp | 1432.00 | NIST | |
| Inp | 1438.00 | NIST | |
| Inp | 1434.00 | NIST | |
| Inp | 1435.00 | NIST | |
| Inp | 1424.00 | NIST | |
| Inp | 1455.00 | NIST | |
| Inp | 1431.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | 1427.00 | NIST | |
| I | [1813.00; 1865.00] |
|
|
| I | 1835.00 | NIST | |
| I | 1838.00 | NIST | |
| I | 1855.00 | NIST | |
| I | 1865.00 | NIST | |
| I | 1813.00 | NIST | |
| I | 1865.00 | NIST | |
| Tboil | 530.12 | K | Relay (1.0) Calculated Property |
| Tc | 702.41 | K | Relay (1.0) Calculated Property |
| Tfus | 246.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.663 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.86; 535.23] | J/mol×K | [558.79; 747.57] |
|
| Cp,gas | 448.86 | J/mol×K | 558.79 | Joback Calculated Property |
| Cp,gas | 465.21 | J/mol×K | 590.25 | Joback Calculated Property |
| Cp,gas | 480.72 | J/mol×K | 621.72 | Joback Calculated Property |
| Cp,gas | 495.44 | J/mol×K | 653.18 | Joback Calculated Property |
| Cp,gas | 509.40 | J/mol×K | 684.64 | Joback Calculated Property |
| Cp,gas | 522.65 | J/mol×K | 716.10 | Joback Calculated Property |
| Cp,gas | 535.23 | J/mol×K | 747.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,9-Undecadien-2-one, 6,10-dimethyl-, (Z)-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.