- 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
- 284.39
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -369.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -834.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.25 | kJ/mol | Joback Calculated Property |
| log10WS | -3.41 | Crippen Calculated Property | |
| logPoct/wat | 3.335 | Crippen Calculated Property | |
| McVol | 240.320 | ml/mol | McGowan Calculated Property |
| Pc | 1623.29 | kPa | Joback Calculated Property |
| Inp | [1881.00; 1881.00] |
|
|
| Inp | 1881.00 | NIST | |
| Inp | 1881.00 | NIST | |
| Tboil | 732.50 | K | Joback Calculated Property |
| Tc | 931.39 | K | Joback Calculated Property |
| Tfus | 402.54 | K | Joback Calculated Property |
| Vc | 0.905 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.91; 828.49] | J/mol×K | [732.50; 931.39] |
|
| Cp,gas | 731.91 | J/mol×K | 732.50 | Joback Calculated Property |
| Cp,gas | 750.96 | J/mol×K | 765.65 | Joback Calculated Property |
| Cp,gas | 768.81 | J/mol×K | 798.80 | Joback Calculated Property |
| Cp,gas | 785.49 | J/mol×K | 831.94 | Joback Calculated Property |
| Cp,gas | 800.99 | J/mol×K | 865.09 | Joback Calculated Property |
| Cp,gas | 815.32 | J/mol×K | 898.24 | Joback Calculated Property |
| Cp,gas | 828.49 | J/mol×K | 931.39 | Joback Calculated Property |
| η | [0.0001105; 0.0017491] | Pa×s | [402.54; 732.50] |
|
| η | 0.0017491 | Pa×s | 402.54 | Joback Calculated Property |
| η | 0.0008371 | Pa×s | 457.53 | Joback Calculated Property |
| η | 0.0004693 | Pa×s | 512.53 | Joback Calculated Property |
| η | 0.0002943 | Pa×s | 567.52 | Joback Calculated Property |
| η | 0.0002004 | Pa×s | 622.51 | Joback Calculated Property |
| η | 0.0001453 | Pa×s | 677.51 | Joback Calculated Property |
| η | 0.0001105 | Pa×s | 732.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl isobutyl ester.
Sources
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