- InChI
- InChI=1S/C13H24O2/c1-3-11(2)7-4-5-8-12-9-6-10-13(14)15-12/h11-12H,3-10H2,1-2H3
- InChI Key
- UXLFQDAATOVVOK-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- CCC(C)CCCCC1CCCC(=O)O1
- Molecular Weight1
- 212.33
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -600.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.70 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.689 | Crippen Calculated Property | |
| McVol | 190.610 | ml/mol | McGowan Calculated Property |
| Inp | [1804.00; 1804.00] |
|
|
| Inp | 1804.00 | NIST | |
| Inp | 1804.00 | NIST | |
| Tboil | 603.47 | 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 | [268.95; 680.17] | 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 | -4.05650e+01 | |||
| Coefficient B | 1.33124e+00 | |||
| Coefficient C | -7.65800e-04 | |||
| Coefficient D | 1.55300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 268.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 341.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 406.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 463.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 513.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 557.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 596.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 628.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 656.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 680.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053561; 0.0003208] | Pa×s | [278.02; 526.18] |
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 | -1.11988e+01 | |||
| Coefficient B | 1.65959e+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. | 278.02 | |||
| Temperature range, max. | 526.18 | |||
| η | 0.0053561 | Pa×s | 278.02 | Calculated Property |
| η | 0.0031256 | Pa×s | 305.59 | Calculated Property |
| η | 0.0019941 | Pa×s | 333.17 | Calculated Property |
| η | 0.0013626 | Pa×s | 360.74 | Calculated Property |
| η | 0.0009829 | Pa×s | 388.31 | Calculated Property |
| η | 0.0007404 | Pa×s | 415.89 | Calculated Property |
| η | 0.0005777 | Pa×s | 443.46 | Calculated Property |
| η | 0.0004640 | Pa×s | 471.03 | Calculated Property |
| η | 0.0003819 | Pa×s | 498.61 | Calculated Property |
| η | 0.0003208 | Pa×s | 526.18 | Calculated Property |
Similar Compounds
Find more compounds similar to 10-Methyldodecan-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
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