- InChI
- InChI=1S/C13H22O2/c1-6-12(14)11(5)13(15)10(4)8-7-9(2)3/h7,10-11H,6,8H2,1-5H3
- InChI Key
- IJGCQHHZHDMDOD-UHFFFAOYSA-N
- Formula
- C13H22O2
- SMILES
- CCC(=O)C(C)C(=O)C(C)CC=C(C)C
- Molecular Weight1
- 210.31
- CAS
- 13851-06-4
- Other Names
-
- 4,6,9-Trimethyldec-8-en-3,5-dione
- 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° | -132.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.19 | Crippen Calculated Property | |
| logPoct/wat | 3.163 | Crippen Calculated Property | |
| McVol | 192.870 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | [1415.00; 1449.10] |
|
|
| Inp | 1415.00 | NIST | |
| Inp | 1417.00 | NIST | |
| Inp | 1417.00 | NIST | |
| Inp | 1449.10 | NIST | |
| Inp | 1415.00 | NIST | |
| Inp | 1449.10 | NIST | |
| I | [1865.00; 1882.00] |
|
|
| I | 1865.00 | NIST | |
| I | 1882.00 | NIST | |
| I | 1882.00 | NIST | |
| I | 1865.00 | NIST | |
| Tboil | 607.74 | K | Joback Calculated Property |
| Tc | 800.90 | K | Joback Calculated Property |
| Tfus | 287.09 | K | Joback Calculated Property |
| Vc | 0.745 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.92; 576.81] | J/mol×K | [607.74; 800.90] |
|
| Cp,gas | 492.92 | J/mol×K | 607.74 | Joback Calculated Property |
| Cp,gas | 508.89 | J/mol×K | 639.93 | Joback Calculated Property |
| Cp,gas | 524.01 | J/mol×K | 672.13 | Joback Calculated Property |
| Cp,gas | 538.33 | J/mol×K | 704.32 | Joback Calculated Property |
| Cp,gas | 551.89 | J/mol×K | 736.51 | Joback Calculated Property |
| Cp,gas | 564.70 | J/mol×K | 768.71 | Joback Calculated Property |
| Cp,gas | 576.81 | J/mol×K | 800.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5,7-trimethyl-2-decene-6,8-dione.
Sources
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