- InChI
- InChI=1S/C14H24O2/c1-6-7-13(15)12(5)14(16)11(4)9-8-10(2)3/h8,11-12H,6-7,9H2,1-5H3
- InChI Key
- CFGSDQZJQUFHTO-UHFFFAOYSA-N
- Formula
- C14H24O2
- SMILES
- CCCC(=O)C(C)C(=O)C(C)CC=C(C)C
- Molecular Weight1
- 224.34
- CAS
- 94201-70-4
- Other Names
-
- 9-Undecen-4,6-dione, 5,7,10-trimethyl
- 5,7,10-trimethylundec-9-ene-4,6-dione
- 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 | 0.5035 | Relay (... Calculated Property | |
| ΔfG° | -124.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.65 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.65 | kJ/mol | Relay (... Calculated Property |
| IE | 8.10 | eV | Relay (... Calculated Property |
| log10WS | -3.10 | Relay (... Calculated Property | |
| logPoct/wat | 3.553 | Crippen Calculated Property | |
| McVol | 206.960 | ml/mol | McGowan Calculated Property |
| Pc | 1790.91 | kPa | Joback Calculated Property |
| Inp | [1469.00; 1493.00] |
|
|
| Inp | 1493.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1493.00 | NIST | |
| I | [1869.00; 1882.00] |
|
|
| I | 1869.00 | NIST | |
| I | 1882.00 | NIST | |
| Tboil | 529.54 | K | Relay (... Calculated Property |
| Tc | 707.97 | K | Relay (... Calculated Property |
| Tfus | 319.28 | K | Relay (... Calculated Property |
| Vc | 0.716 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.71; 631.27] | J/mol×K | [630.62; 821.58] |
|
| Cp,gas | 544.71 | J/mol×K | 630.62 | Joback Calculated Property |
| Cp,gas | 561.16 | J/mol×K | 662.45 | Joback Calculated Property |
| Cp,gas | 576.76 | J/mol×K | 694.27 | Joback Calculated Property |
| Cp,gas | 591.53 | J/mol×K | 726.10 | Joback Calculated Property |
| Cp,gas | 605.52 | J/mol×K | 757.93 | Joback Calculated Property |
| Cp,gas | 618.75 | J/mol×K | 789.76 | Joback Calculated Property |
| Cp,gas | 631.27 | J/mol×K | 821.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,7,10-Trimethylundec-9-en-4,6-dione.
Sources
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