- InChI
- InChI=1S/C20H30O2/c1-3-4-5-6-7-8-9-10-14-17-22-20(21)18(2)19-15-12-11-13-16-19/h10-16,18H,3-9,17H2,1-2H3/b14-10+
- InChI Key
- MGGBVIFSTADQDO-GXDHUFHOSA-N
- Formula
- C20H30O2
- SMILES
-
CCCCCCCC/C=C/COC(=O)C(C)c1cccc
c1 - Molecular Weight1
- 302.46
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- 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 |
|---|---|---|---|
| ΔfusH° | 42.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.640 | Crippen Calculated Property | |
| McVol | 272.040 | ml/mol | McGowan Calculated Property |
| Pc | 1330.04 | kPa | Joback Calculated Property |
| Inp | [2180.00; 2180.00] |
|
|
| Inp | 2180.00 | NIST | |
| Inp | 2180.00 | NIST | |
| Tboil | 599.36 | K | Relay (1.0) Calculated Property |
| Tc | 822.25 | K | Relay (1.0) Calculated Property |
| Tfus | 271.99 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, 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 | [374.52; 910.69] | 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 | -3.96520e+01 | |||
| Coefficient B | 1.79604e+00 | |||
| Coefficient C | -1.08780e-03 | |||
| Coefficient D | 2.42100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 374.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 470.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 555.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 630.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 695.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 752.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 801.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 844.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 880.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 910.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021333; 0.0000836] | Pa×s | [363.83; 659.18] |
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 | -1.33811e+01 | |||
| Coefficient B | 2.63084e+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. | 363.83 | |||
| Temperature range, max. | 659.18 | |||
| η | 0.0021333 | Pa×s | 363.83 | Calculated Property |
| η | 0.0011728 | Pa×s | 396.65 | Calculated Property |
| η | 0.0007065 | Pa×s | 429.46 | Calculated Property |
| η | 0.0004573 | Pa×s | 462.28 | Calculated Property |
| η | 0.0003136 | Pa×s | 495.10 | Calculated Property |
| η | 0.0002254 | Pa×s | 527.92 | Calculated Property |
| η | 0.0001684 | Pa×s | 560.73 | Calculated Property |
| η | 0.0001299 | Pa×s | 593.55 | Calculated Property |
| η | 0.0001030 | Pa×s | 626.37 | Calculated Property |
| η | 0.0000836 | Pa×s | 659.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Hydratropic acid, undec-2-en-1-yl ester.
Sources
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