- InChI
- InChI=1S/C13H22O2/c1-4-13(14)15-9-11(3)12-7-5-10(2)6-8-12/h5,11-12H,4,6-9H2,1-3H3
- InChI Key
- XWMAXJVDCTXUBT-UHFFFAOYSA-N
- Formula
- C13H22O2
- SMILES
- CCC(=O)OCC(C)C1CC=C(C)CC1
- Molecular Weight1
- 210.31
- Other Names
-
- 1-p-Menthe-9-yl propanoate
- 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 | -472.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.322 | Crippen Calculated Property | |
| McVol | 186.310 | ml/mol | McGowan Calculated Property |
| Pc | 2016.32 | kPa | Joback Calculated Property |
| Inp | [1499.00; 1499.00] |
|
|
| Inp | 1499.00 | NIST | |
| Inp | 1499.00 | NIST | |
| I | [1883.00; 1883.00] |
|
|
| I | 1883.00 | NIST | |
| I | 1883.00 | NIST | |
| Tboil | 536.55 | K | Relay (1.0) Calculated Property |
| Tc | 723.69 | K | Relay (1.0) Calculated Property |
| Tfus | 245.88 | 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 | [255.24; 649.39] | 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 | -2.87280e+01 | |||
| Coefficient B | 1.19656e+00 | |||
| Coefficient C | -5.93240e-04 | |||
| Coefficient D | 7.48000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 255.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 323.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 385.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 440.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 489.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 532.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 569.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 601.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 628.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 649.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0050012; 0.0001904] | Pa×s | [284.26; 545.64] |
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 | -1.21204e+01 | |||
| Coefficient B | 1.93931e+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. | 284.26 | |||
| Temperature range, max. | 545.64 | |||
| η | 0.0050012 | Pa×s | 284.26 | Calculated Property |
| η | 0.0026572 | Pa×s | 313.30 | Calculated Property |
| η | 0.0015717 | Pa×s | 342.34 | Calculated Property |
| η | 0.0010092 | Pa×s | 371.39 | Calculated Property |
| η | 0.0006910 | Pa×s | 400.43 | Calculated Property |
| η | 0.0004980 | Pa×s | 429.47 | Calculated Property |
| η | 0.0003742 | Pa×s | 458.51 | Calculated Property |
| η | 0.0002908 | Pa×s | 487.56 | Calculated Property |
| η | 0.0002326 | Pa×s | 516.60 | Calculated Property |
| η | 0.0001904 | Pa×s | 545.64 | Calculated Property |
Similar Compounds
Find more compounds similar to p-menth-1-en-9-yl propanoate.
Sources
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