- InChI
- InChI=1S/C16H28O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h12-14H,4-11H2,1-3H3
- InChI Key
- HYXGOZPSEVFYHG-UHFFFAOYSA-N
- Formula
- C16H28O4
- SMILES
- CCCCOC(=O)C1CCCCC1C(=O)OCC(C)C
- Molecular Weight1
- 284.40
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -950.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.29 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.335 | Crippen Calculated Property | |
| McVol | 240.320 | ml/mol | McGowan Calculated Property |
| Inp | [1881.00; 1881.00] |
|
|
| Inp | 1881.00 | NIST | |
| Inp | 1881.00 | NIST | |
| Tboil | 583.49 | K | Relay (1.0) Calculated Property |
| Tfus | 266.15 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [716.20; 816.14] | J/mol×K | [696.56; 891.18] |
|
| Cp,gas | 716.20 | J/mol×K | 696.56 | Joback Calculated Property |
| Cp,gas | 735.91 | J/mol×K | 729.00 | Joback Calculated Property |
| Cp,gas | 754.38 | J/mol×K | 761.43 | Joback Calculated Property |
| Cp,gas | 771.63 | J/mol×K | 793.87 | Joback Calculated Property |
| Cp,gas | 787.67 | J/mol×K | 826.31 | Joback Calculated Property |
| Cp,gas | 802.50 | J/mol×K | 858.75 | Joback Calculated Property |
| Cp,gas | 816.14 | J/mol×K | 891.18 | Joback Calculated Property |
| η | [0.0000883; 0.0036361] | Pa×s | [342.88; 696.56] |
|
| η | 0.0036361 | Pa×s | 342.88 | Joback Calculated Property |
| η | 0.0012420 | Pa×s | 401.83 | Joback Calculated Property |
| η | 0.0005584 | Pa×s | 460.77 | Joback Calculated Property |
| η | 0.0003010 | Pa×s | 519.72 | Joback Calculated Property |
| η | 0.0001840 | Pa×s | 578.67 | Joback Calculated Property |
| η | 0.0001232 | Pa×s | 637.61 | Joback Calculated Property |
| η | 0.0000883 | Pa×s | 696.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl isobutyl 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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