- InChI
- InChI=1S/C22H40O4/c1-3-4-5-6-7-9-13-19(2)26-22(24)17-12-16-21(23)25-18-20-14-10-8-11-15-20/h19-20H,3-18H2,1-2H3
- InChI Key
- RMSSRGFEYAYWMW-UHFFFAOYSA-N
- Formula
- C22H40O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OCC1
CCCCC1 - Molecular Weight1
- 368.55
- 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).
- 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 | -1095.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.66 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.963 | Crippen Calculated Property | |
| McVol | 324.860 | ml/mol | McGowan Calculated Property |
| Inp | [2527.00; 2527.00] |
|
|
| Inp | 2527.00 | NIST | |
| Inp | 2527.00 | NIST | |
| Tboil | 654.19 | K | Relay (1.0) Calculated Property |
| Tc | 838.83 | K | Relay (1.0) Calculated Property |
| Tfus | 270.23 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [466.43; 1156.16] | 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 | -3.35790e+01 | |||
| Coefficient B | 2.11224e+00 | |||
| Coefficient C | -1.06800e-03 | |||
| Coefficient D | 1.45500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 466.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 586.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 694.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 791.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 876.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 951.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1016.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1072.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1118.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1156.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016783; 0.0000550] | Pa×s | [414.74; 723.14] |
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 | -1.44034e+01 | |||
| Coefficient B | 3.32349e+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. | 414.74 | |||
| Temperature range, max. | 723.14 | |||
| η | 0.0016783 | Pa×s | 414.74 | Calculated Property |
| η | 0.0009105 | Pa×s | 449.01 | Calculated Property |
| η | 0.0005387 | Pa×s | 483.27 | Calculated Property |
| η | 0.0003417 | Pa×s | 517.54 | Calculated Property |
| η | 0.0002293 | Pa×s | 551.81 | Calculated Property |
| η | 0.0001612 | Pa×s | 586.07 | Calculated Property |
| η | 0.0001179 | Pa×s | 620.34 | Calculated Property |
| η | 0.0000890 | Pa×s | 654.61 | Calculated Property |
| η | 0.0000692 | Pa×s | 688.87 | Calculated Property |
| η | 0.0000550 | Pa×s | 723.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 2-decyl 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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