- 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [831.55; 938.00] | J/mol×K | [757.64; 971.17] |
|
| Cp,gas | 831.55 | J/mol×K | 757.64 | Joback Calculated Property |
| Cp,gas | 853.64 | J/mol×K | 793.23 | Joback Calculated Property |
| Cp,gas | 873.98 | J/mol×K | 828.82 | Joback Calculated Property |
| Cp,gas | 892.57 | J/mol×K | 864.40 | Joback Calculated Property |
| Cp,gas | 909.43 | J/mol×K | 899.99 | Joback Calculated Property |
| Cp,gas | 924.57 | J/mol×K | 935.58 | Joback Calculated Property |
| Cp,gas | 938.00 | J/mol×K | 971.17 | Joback Calculated Property |
| η | [0.0000949; 0.0024905] | Pa×s | [383.56; 757.64] |
|
| η | 0.0024905 | Pa×s | 383.56 | Joback Calculated Property |
| η | 0.0009874 | Pa×s | 445.91 | Joback Calculated Property |
| η | 0.0004912 | Pa×s | 508.25 | Joback Calculated Property |
| η | 0.0002847 | Pa×s | 570.60 | Joback Calculated Property |
| η | 0.0001837 | Pa×s | 632.95 | Joback Calculated Property |
| η | 0.0001282 | Pa×s | 695.29 | Joback Calculated Property |
| η | 0.0000949 | Pa×s | 757.64 | Joback 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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