- InChI
- InChI=1S/C12H22O2/c1-10(2)6-3-4-7-11-8-5-9-12(13)14-11/h10-11H,3-9H2,1-2H3
- InChI Key
- HORZJHMTLLMPDU-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CC(C)CCCCC1CCCC(=O)O1
- Molecular Weight1
- 198.30
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -573.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.79 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.298 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Inp | [1687.00; 1687.00] |
|
|
| Inp | 1687.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Tboil | 591.24 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.74; 628.58] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.96560e+01 | |||
| Coefficient B | 1.23624e+00 | |||
| Coefficient C | -7.11400e-04 | |||
| Coefficient D | 1.43400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 247.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 315.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 374.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 428.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 474.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 515.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 550.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 581.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 606.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 628.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055184; 0.0003326] | Pa×s | [266.75; 511.65] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.10682e+01 | |||
| Coefficient B | 1.56543e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 266.75 | |||
| Temperature range, max. | 511.65 | |||
| η | 0.0055184 | Pa×s | 266.75 | Calculated Property |
| η | 0.0032055 | Pa×s | 293.96 | Calculated Property |
| η | 0.0020415 | Pa×s | 321.17 | Calculated Property |
| η | 0.0013951 | Pa×s | 348.38 | Calculated Property |
| η | 0.0010075 | Pa×s | 375.59 | Calculated Property |
| η | 0.0007602 | Pa×s | 402.81 | Calculated Property |
| η | 0.0005945 | Pa×s | 430.02 | Calculated Property |
| η | 0.0004787 | Pa×s | 457.23 | Calculated Property |
| η | 0.0003949 | Pa×s | 484.44 | Calculated Property |
| η | 0.0003326 | Pa×s | 511.65 | Calculated Property |
Similar Compounds
Find more compounds similar to 10-Methylundecan-5-olide.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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