- InChI
- InChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h5,7H,1-4,6,8-11H2/b7-5-
- InChI Key
- FZKPUQQWULXMCD-ALCCZGGFSA-N
- Formula
- C12H20O2
- SMILES
- O=C1CCCCCCCC=CCCO1
- Molecular Weight1
- 196.29
- Other Names
-
- (Z)-9-Dodecen-12-olide (Yuzu lactone)
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -458.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.220 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2587.22 | kPa | Joback Calculated Property |
| Inp | 1531.00 | NIST | |
| I | [1986.00; 2018.00] |
|
|
| I | 1986.00 | NIST | |
| I | 2018.00 | NIST | |
| Tboil | 612.63 | K | Relay (1.0) Calculated Property |
| Tc | 805.45 | K | Relay (1.0) Calculated Property |
| Tfus | 289.07 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [205.07; 602.54] | 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 | -7.19800e+01 | |||
| Coefficient B | 1.13360e+00 | |||
| Coefficient C | -4.26080e-04 | |||
| Coefficient D | -3.30000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 205.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 337.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 394.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 445.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 489.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 527.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 559.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 584.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 602.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0344479; 0.0000500] | Pa×s | [262.11; 569.61] |
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 | -1.54744e+01 | |||
| Coefficient B | 3.17313e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 262.11 | |||
| Temperature range, max. | 569.61 | |||
| η | 0.0344479 | Pa×s | 262.11 | Calculated Property |
| η | 0.0085283 | Pa×s | 296.28 | Calculated Property |
| η | 0.0028180 | Pa×s | 330.44 | Calculated Property |
| η | 0.0011459 | Pa×s | 364.61 | Calculated Property |
| η | 0.0005436 | Pa×s | 398.77 | Calculated Property |
| η | 0.0002901 | Pa×s | 432.94 | Calculated Property |
| η | 0.0001697 | Pa×s | 467.11 | Calculated Property |
| η | 0.0001068 | Pa×s | 501.27 | Calculated Property |
| η | 0.0000713 | Pa×s | 535.44 | Calculated Property |
| η | 0.0000500 | Pa×s | 569.61 | Calculated Property |
Similar Compounds
Find more compounds similar to 12-hydroxy-cis-9-dodecenoic acid lactone.
Sources
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