- InChI
- InChI=1S/C13H22O2/c1-3-11(2)7-5-4-6-8-12-9-10-13(14)15-12/h9-12H,3-8H2,1-2H3
- InChI Key
- OFMQUACVCCNBRR-UHFFFAOYSA-N
- Formula
- C13H22O2
- SMILES
- CCC(C)CCCCCC1C=CC(=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° | -86.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.45 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 3.465 | Crippen Calculated Property | |
| McVol | 186.310 | ml/mol | McGowan Calculated Property |
| Pc | 2036.39 | kPa | Joback Calculated Property |
| Inp | [1758.00; 1758.00] |
|
|
| Inp | 1758.00 | NIST | |
| Inp | 1758.00 | NIST | |
| Tboil | 605.61 | K | Joback Calculated Property |
| Tc | 807.05 | K | Joback Calculated Property |
| Tfus | 327.72 | K | Joback Calculated Property |
| Vc | 0.713 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [501.51; 598.10] | J/mol×K | [605.61; 807.05] |
|
| Cp,gas | 501.51 | J/mol×K | 605.61 | Joback Calculated Property |
| Cp,gas | 519.92 | J/mol×K | 639.18 | Joback Calculated Property |
| Cp,gas | 537.39 | J/mol×K | 672.76 | Joback Calculated Property |
| Cp,gas | 553.92 | J/mol×K | 706.33 | Joback Calculated Property |
| Cp,gas | 569.54 | J/mol×K | 739.91 | Joback Calculated Property |
| Cp,gas | 584.26 | J/mol×K | 773.48 | Joback Calculated Property |
| Cp,gas | 598.10 | J/mol×K | 807.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10-Methyldodec-2-en-4-olide.
Sources
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