- InChI
- InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-16-22-19(20)17-12-14-18(21-2)15-13-17/h10-11,17-18H,3-9,12-16H2,1-2H3
- InChI Key
- JTKJPTIFEYXAAC-UHFFFAOYSA-N
- Formula
- C19H34O3
- SMILES
- CCCCCCCCC=CCOC(=O)C1CCC(OC)CC1
- Molecular Weight1
- 310.48
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 43.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.72 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.042 | Crippen Calculated Property | |
| McVol | 276.720 | ml/mol | McGowan Calculated Property |
| Inp | [2258.00; 2258.00] |
|
|
| Inp | 2258.00 | NIST | |
| Inp | 2258.00 | NIST | |
| Tboil | 618.07 | K | Relay (1.0) Calculated Property |
| Tc | 824.62 | K | Relay (1.0) Calculated Property |
| Tfus | 264.08 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [390.43; 987.32] | 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 | -3.73220e+01 | |||
| Coefficient B | 1.80644e+00 | |||
| Coefficient C | -9.13600e-04 | |||
| Coefficient D | 1.31800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 390.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 493.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 585.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 669.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 742.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 807.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 864.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 912.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 953.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 987.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018423; 0.0001003] | Pa×s | [366.51; 646.37] |
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 | -1.30199e+01 | |||
| Coefficient B | 2.46411e+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. | 366.51 | |||
| Temperature range, max. | 646.37 | |||
| η | 0.0018423 | Pa×s | 366.51 | Calculated Property |
| η | 0.0010890 | Pa×s | 397.61 | Calculated Property |
| η | 0.0006947 | Pa×s | 428.70 | Calculated Property |
| η | 0.0004710 | Pa×s | 459.80 | Calculated Property |
| η | 0.0003354 | Pa×s | 490.89 | Calculated Property |
| η | 0.0002487 | Pa×s | 521.99 | Calculated Property |
| η | 0.0001907 | Pa×s | 553.08 | Calculated Property |
| η | 0.0001505 | Pa×s | 584.18 | Calculated Property |
| η | 0.0001216 | Pa×s | 615.27 | Calculated Property |
| η | 0.0001003 | Pa×s | 646.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-, undec-2-en-1-yl ester.
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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