- InChI
- InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-13-16-25-21(23)19-14-11-12-15-20(19)22(24)26-17-18(2)3/h18-20H,4-17H2,1-3H3
- InChI Key
- XTLZHMNYSDYCTM-UHFFFAOYSA-N
- Formula
- C22H40O4
- SMILES
-
CCCCCCCCCCOC(=O)C1CCCCC1C(=O)O
CC(C)C - Molecular Weight1
- 368.55
- 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° | -319.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -958.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.61 | kJ/mol | Joback Calculated Property |
| log10WS | -5.93 | Crippen Calculated Property | |
| logPoct/wat | 5.676 | Crippen Calculated Property | |
| McVol | 324.860 | ml/mol | McGowan Calculated Property |
| Pc | 1069.36 | kPa | Joback Calculated Property |
| Inp | [2439.00; 2439.00] |
|
|
| Inp | 2439.00 | NIST | |
| Inp | 2439.00 | NIST | |
| Tboil | 869.78 | K | Joback Calculated Property |
| Tc | 1069.70 | K | Joback Calculated Property |
| Tfus | 470.16 | K | Joback Calculated Property |
| Vc | 1.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1093.46; 1189.25] | J/mol×K | [869.78; 1069.70] |
|
| Cp,gas | 1093.46 | J/mol×K | 869.78 | Joback Calculated Property |
| Cp,gas | 1113.02 | J/mol×K | 903.10 | Joback Calculated Property |
| Cp,gas | 1131.11 | J/mol×K | 936.42 | Joback Calculated Property |
| Cp,gas | 1147.76 | J/mol×K | 969.74 | Joback Calculated Property |
| Cp,gas | 1162.98 | J/mol×K | 1003.06 | Joback Calculated Property |
| Cp,gas | 1176.80 | J/mol×K | 1036.38 | Joback Calculated Property |
| Cp,gas | 1189.25 | J/mol×K | 1069.70 | Joback Calculated Property |
| η | [0.0000488; 0.0009457] | Pa×s | [470.16; 869.78] |
|
| η | 0.0009457 | Pa×s | 470.16 | Joback Calculated Property |
| η | 0.0004247 | Pa×s | 536.76 | Joback Calculated Property |
| η | 0.0002276 | Pa×s | 603.37 | Joback Calculated Property |
| η | 0.0001381 | Pa×s | 669.97 | Joback Calculated Property |
| η | 0.0000917 | Pa×s | 736.57 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 803.18 | Joback Calculated Property |
| η | 0.0000488 | Pa×s | 869.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, decyl isobutyl ester.
Sources
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