- InChI
- InChI=1S/C18H30O4/c1-13-3-7-15(8-4-13)21-17(19)11-12-18(20)22-16-9-5-14(2)6-10-16/h13-16H,3-12H2,1-2H3
- InChI Key
- GUEFKTFJTJMFQU-UHFFFAOYSA-N
- Formula
- C18H30O4
- SMILES
-
CC1CCC(OC(=O)CCC(=O)OC2CCC(C)C
C2)CC1 - Molecular Weight1
- 310.43
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -996.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.58 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.010 | Crippen Calculated Property | |
| McVol | 257.640 | ml/mol | McGowan Calculated Property |
| Inp | [2228.00; 2228.00] |
|
|
| Inp | 2228.00 | NIST | |
| Inp | 2228.00 | NIST | |
| Tfus | 303.10 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, 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 | [348.30; 947.65] | 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 | -8.19880e+01 | |||
| Coefficient B | 1.79544e+00 | |||
| Coefficient C | -8.17400e-04 | |||
| Coefficient D | 5.16000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 348.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 453.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 548.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 633.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 708.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 774.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 831.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 879.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 917.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 947.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024905; 0.0001393] | Pa×s | [383.56; 679.82] |
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 | -1.26120e+01 | |||
| Coefficient B | 2.53792e+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. | 383.56 | |||
| Temperature range, max. | 679.82 | |||
| η | 0.0024905 | Pa×s | 383.56 | Calculated Property |
| η | 0.0014762 | Pa×s | 416.48 | Calculated Property |
| η | 0.0009447 | Pa×s | 449.39 | Calculated Property |
| η | 0.0006426 | Pa×s | 482.31 | Calculated Property |
| η | 0.0004591 | Pa×s | 515.23 | Calculated Property |
| η | 0.0003415 | Pa×s | 548.15 | Calculated Property |
| η | 0.0002627 | Pa×s | 581.06 | Calculated Property |
| η | 0.0002079 | Pa×s | 613.98 | Calculated Property |
| η | 0.0001685 | Pa×s | 646.90 | Calculated Property |
| η | 0.0001393 | Pa×s | 679.82 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cis-4-methylcyclohexyl trans-4-methylcyclohexyl 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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