- InChI
- InChI=1S/C20H30O4/c1-2-23-19(21)16-5-3-4-6-17(16)20(22)24-18-14-8-12-7-13(10-14)11-15(18)9-12/h12-18H,2-11H2,1H3
- InChI Key
- YQXLJJRMHPXQEF-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCOC(=O)C1CCCCC1C(=O)OC1C2CC3C
C(C2)CC1C3 - Molecular Weight1
- 334.45
- 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° | -178.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.84 | kJ/mol | Joback Calculated Property |
| log10WS | -4.16 | Crippen Calculated Property | |
| logPoct/wat | 3.724 | Crippen Calculated Property | |
| McVol | 264.100 | ml/mol | McGowan Calculated Property |
| Pc | 1568.47 | kPa | Joback Calculated Property |
| Inp | [2478.00; 2478.00] |
|
|
| Inp | 2478.00 | NIST | |
| Inp | 2478.00 | NIST | |
| Tboil | 839.61 | K | Joback Calculated Property |
| Tc | 1063.14 | K | Joback Calculated Property |
| Tfus | 504.44 | K | Joback Calculated Property |
| Vc | 0.997 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [932.56; 1036.74] | J/mol×K | [839.61; 1063.14] |
|
| Cp,gas | 932.56 | J/mol×K | 839.61 | Joback Calculated Property |
| Cp,gas | 953.54 | J/mol×K | 876.86 | Joback Calculated Property |
| Cp,gas | 972.96 | J/mol×K | 914.12 | Joback Calculated Property |
| Cp,gas | 990.89 | J/mol×K | 951.37 | Joback Calculated Property |
| Cp,gas | 1007.44 | J/mol×K | 988.63 | Joback Calculated Property |
| Cp,gas | 1022.69 | J/mol×K | 1025.88 | Joback Calculated Property |
| Cp,gas | 1036.74 | J/mol×K | 1063.14 | Joback Calculated Property |
| η | [0.0023802; 0.0051580] | Pa×s | [504.44; 839.61] |
|
| η | 0.0051580 | Pa×s | 504.44 | Joback Calculated Property |
| η | 0.0042521 | Pa×s | 560.30 | Joback Calculated Property |
| η | 0.0036302 | Pa×s | 616.16 | Joback Calculated Property |
| η | 0.0031818 | Pa×s | 672.02 | Joback Calculated Property |
| η | 0.0028458 | Pa×s | 727.89 | Joback Calculated Property |
| η | 0.0025861 | Pa×s | 783.75 | Joback Calculated Property |
| η | 0.0023802 | Pa×s | 839.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl ethyl ester.
Sources
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