- InChI
- InChI=1S/C13H22O2/c1-3-11(2)7-5-4-6-8-12-9-10-13(14)15-12/h9,11H,3-8,10H2,1-2H3
- InChI Key
- LXECKBJXFXENSF-UHFFFAOYSA-N
- Formula
- C13H22O2
- SMILES
- CCC(C)CCCCCC1=CCC(=O)O1
- Molecular Weight1
- 210.31
- 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° | -87.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -459.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 3.814 | Crippen Calculated Property | |
| McVol | 186.310 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | [1663.00; 1663.00] |
|
|
| Inp | 1663.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Tboil | 615.26 | K | Joback Calculated Property |
| Tc | 817.74 | K | Joback Calculated Property |
| Tfus | 344.48 | K | Joback Calculated Property |
| Vc | 0.714 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.13; 593.28] | J/mol×K | [615.26; 817.74] |
|
| Cp,gas | 500.13 | J/mol×K | 615.26 | Joback Calculated Property |
| Cp,gas | 517.88 | J/mol×K | 649.01 | Joback Calculated Property |
| Cp,gas | 534.71 | J/mol×K | 682.75 | Joback Calculated Property |
| Cp,gas | 550.65 | J/mol×K | 716.50 | Joback Calculated Property |
| Cp,gas | 565.72 | J/mol×K | 750.25 | Joback Calculated Property |
| Cp,gas | 579.92 | J/mol×K | 783.99 | Joback Calculated Property |
| Cp,gas | 593.28 | J/mol×K | 817.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10-Methyldodec-3-en-4-olide.
Sources
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