- InChI
- InChI=1S/C21H36O4/c1-16(2)9-8-14-24-20(22)18-12-6-7-13-19(18)21(23)25-15-17-10-4-3-5-11-17/h16-19H,3-15H2,1-2H3
- InChI Key
- AHBIZAPFGDVYCG-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
CC(C)CCCOC(=O)C1CCCCC1C(=O)OCC
1CCCCC1 - Molecular Weight1
- 352.51
- 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° | -303.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -883.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.81 | kJ/mol | Joback Calculated Property |
| log10WS | -5.16 | Crippen Calculated Property | |
| logPoct/wat | 4.896 | Crippen Calculated Property | |
| McVol | 299.910 | ml/mol | McGowan Calculated Property |
| Pc | 1315.61 | kPa | Joback Calculated Property |
| Inp | [2452.00; 2452.00] |
|
|
| Inp | 2452.00 | NIST | |
| Inp | 2452.00 | NIST | |
| Tboil | 866.45 | K | Joback Calculated Property |
| Tc | 1081.84 | K | Joback Calculated Property |
| Tfus | 466.27 | K | Joback Calculated Property |
| Vc | 1.119 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1028.73; 1124.01] | J/mol×K | [866.45; 1081.84] |
|
| Cp,gas | 1028.73 | J/mol×K | 866.45 | Joback Calculated Property |
| Cp,gas | 1048.99 | J/mol×K | 902.35 | Joback Calculated Property |
| Cp,gas | 1067.46 | J/mol×K | 938.25 | Joback Calculated Property |
| Cp,gas | 1084.17 | J/mol×K | 974.14 | Joback Calculated Property |
| Cp,gas | 1099.14 | J/mol×K | 1010.04 | Joback Calculated Property |
| Cp,gas | 1112.41 | J/mol×K | 1045.94 | Joback Calculated Property |
| Cp,gas | 1124.01 | J/mol×K | 1081.84 | Joback Calculated Property |
| η | [0.0000583; 0.0012118] | Pa×s | [466.27; 866.45] |
|
| η | 0.0012118 | Pa×s | 466.27 | Joback Calculated Property |
| η | 0.0005326 | Pa×s | 532.97 | Joback Calculated Property |
| η | 0.0002810 | Pa×s | 599.66 | Joback Calculated Property |
| η | 0.0001686 | Pa×s | 666.36 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 733.06 | Joback Calculated Property |
| η | 0.0000783 | Pa×s | 799.75 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 866.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl isohexyl ester.
Sources
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