- InChI
- InChI=1S/C20H34O4/c1-2-3-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-16-10-5-4-6-11-16/h16-18H,2-15H2,1H3
- InChI Key
- WDTGTPBLLDQGHP-UHFFFAOYSA-N
- Formula
- C20H34O4
- SMILES
-
CCCCCOC(=O)C1CCCCC1C(=O)OCC1CC
CCC1 - Molecular Weight1
- 338.48
- 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° | -309.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -857.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.98 | Crippen Calculated Property | |
| logPoct/wat | 4.650 | Crippen Calculated Property | |
| McVol | 285.820 | ml/mol | McGowan Calculated Property |
| Pc | 1403.79 | kPa | Joback Calculated Property |
| Inp | [2399.00; 2399.00] |
|
|
| Inp | 2399.00 | NIST | |
| Inp | 2399.00 | NIST | |
| Tboil | 844.01 | K | Joback Calculated Property |
| Tc | 1057.86 | K | Joback Calculated Property |
| Tfus | 470.00 | K | Joback Calculated Property |
| Vc | 1.069 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [966.74; 1063.24] | J/mol×K | [844.01; 1057.86] |
|
| Cp,gas | 966.74 | J/mol×K | 844.01 | Joback Calculated Property |
| Cp,gas | 987.02 | J/mol×K | 879.65 | Joback Calculated Property |
| Cp,gas | 1005.59 | J/mol×K | 915.29 | Joback Calculated Property |
| Cp,gas | 1022.47 | J/mol×K | 950.94 | Joback Calculated Property |
| Cp,gas | 1037.69 | J/mol×K | 986.58 | Joback Calculated Property |
| Cp,gas | 1051.27 | J/mol×K | 1022.22 | Joback Calculated Property |
| Cp,gas | 1063.24 | J/mol×K | 1057.86 | Joback Calculated Property |
| η | [0.0000734; 0.0011636] | Pa×s | [470.00; 844.01] |
|
| η | 0.0011636 | Pa×s | 470.00 | Joback Calculated Property |
| η | 0.0005606 | Pa×s | 532.34 | Joback Calculated Property |
| η | 0.0003148 | Pa×s | 594.67 | Joback Calculated Property |
| η | 0.0001972 | Pa×s | 657.00 | Joback Calculated Property |
| η | 0.0001340 | Pa×s | 719.34 | Joback Calculated Property |
| η | 0.0000968 | Pa×s | 781.67 | Joback Calculated Property |
| η | 0.0000734 | Pa×s | 844.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl pentyl ester.
Sources
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