- InChI
- InChI=1S/C13H22O/c1-12(2)7-4-8-13(3)9-10(14)5-6-11(12)13/h11H,4-9H2,1-3H3
- InChI Key
- YZILXDJWJHJLAM-UHFFFAOYSA-N
- Formula
- C13H22O
- SMILES
- CC1(C)CCCC2(C)CC(=O)CCC12
- Molecular Weight1
- 194.31
- 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° | -9.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -318.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.68 | kJ/mol | Joback Calculated Property |
| log10WS | -3.61 | Crippen Calculated Property | |
| logPoct/wat | 3.572 | Crippen Calculated Property | |
| McVol | 173.880 | ml/mol | McGowan Calculated Property |
| Pc | 2465.36 | kPa | Joback Calculated Property |
| Inp | [1505.00; 1505.00] |
|
|
| Inp | 1505.00 | NIST | |
| Inp | 1505.00 | NIST | |
| I | [2068.00; 2068.00] |
|
|
| I | 2068.00 | NIST | |
| I | 2068.00 | NIST | |
| Tboil | 591.03 | K | Joback Calculated Property |
| Tc | 835.84 | K | Joback Calculated Property |
| Tfus | 369.85 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.88; 598.32] | J/mol×K | [591.03; 835.84] |
|
| Cp,gas | 474.88 | J/mol×K | 591.03 | Joback Calculated Property |
| Cp,gas | 498.03 | J/mol×K | 631.83 | Joback Calculated Property |
| Cp,gas | 519.78 | J/mol×K | 672.63 | Joback Calculated Property |
| Cp,gas | 540.41 | J/mol×K | 713.43 | Joback Calculated Property |
| Cp,gas | 560.19 | J/mol×K | 754.23 | Joback Calculated Property |
| Cp,gas | 579.40 | J/mol×K | 795.03 | Joback Calculated Property |
| Cp,gas | 598.32 | J/mol×K | 835.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6,6,10-Trimethyldecal-2-one.
Sources
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