- InChI
- InChI=1S/C13H22O/c1-11(2)6-5-7-12(3)8-9-13(4)10-14/h8,10,13H,1,5-7,9H2,2-4H3/b12-8-
- InChI Key
- MINJGYRWHNAENM-WQLSENKSSA-N
- Formula
- C13H22O
- SMILES
- C=C(C)CCCC(C)=CCC(C)C=O
- 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.
- 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° | 107.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -179.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.31 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| McVol | 187.000 | ml/mol | McGowan Calculated Property |
| Pc | 1923.67 | kPa | Joback Calculated Property |
| Inp | [1395.00; 1395.00] |
|
|
| Inp | 1395.00 | NIST | |
| Inp | 1395.00 | NIST | |
| Inp | 1395.00 | NIST | |
| Tboil | 545.66 | K | Joback Calculated Property |
| Tc | 729.69 | K | Joback Calculated Property |
| Tfus | 228.51 | K | Joback Calculated Property |
| Vc | 0.738 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.94; 533.98] | J/mol×K | [545.66; 729.69] |
|
| Cp,gas | 447.94 | J/mol×K | 545.66 | Joback Calculated Property |
| Cp,gas | 464.18 | J/mol×K | 576.33 | Joback Calculated Property |
| Cp,gas | 479.61 | J/mol×K | 607.00 | Joback Calculated Property |
| Cp,gas | 494.27 | J/mol×K | 637.68 | Joback Calculated Property |
| Cp,gas | 508.19 | J/mol×K | 668.35 | Joback Calculated Property |
| Cp,gas | 521.41 | J/mol×K | 699.02 | Joback Calculated Property |
| Cp,gas | 533.98 | J/mol×K | 729.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trimenal.
Sources
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