- InChI
- InChI=1S/C12H22O2/c1-9(2)6-5-7-10(3)8-12(14)11(4)13/h6,10,12,14H,5,7-8H2,1-4H3/t10-,12+/m1/s1
- InChI Key
- MSHLNKCUNGPTTI-PWSUYJOCSA-N
- Formula
- C12H22O2
- SMILES
- CC(=O)C(O)CC(C)CCC=C(C)C
- Molecular Weight1
- 198.30
- 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 | 0.6484 | Relay (1.0) Calculated Property | |
| ΔfG° | -148.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.709 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 2179.52 | kPa | Joback Calculated Property |
| Inp | 1443.00 | NIST | |
| I | [2014.00; 2014.00] |
|
|
| I | 2014.00 | NIST | |
| I | 2014.00 | NIST | |
| Tboil | 527.04 | K | Relay (1.0) Calculated Property |
| Tc | 716.77 | K | Relay (1.0) Calculated Property |
| Tfus | 307.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.640 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.68; 556.63] | J/mol×K | [623.17; 802.18] |
|
| Cp,gas | 482.68 | J/mol×K | 623.17 | Joback Calculated Property |
| Cp,gas | 496.60 | J/mol×K | 653.00 | Joback Calculated Property |
| Cp,gas | 509.84 | J/mol×K | 682.84 | Joback Calculated Property |
| Cp,gas | 522.44 | J/mol×K | 712.67 | Joback Calculated Property |
| Cp,gas | 534.41 | J/mol×K | 742.51 | Joback Calculated Property |
| Cp,gas | 545.80 | J/mol×K | 772.34 | Joback Calculated Property |
| Cp,gas | 556.63 | J/mol×K | 802.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-hydroxy-5,9-dimethyl-dec-8-en-2-on (R, S ).
Sources
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