- InChI
- InChI=1S/C23H36O4/c1-2-3-6-9-26-22(24)19-7-4-5-8-20(19)23(25)27-21-17-11-15-10-16(13-17)14-18(21)12-15/h15-21H,2-14H2,1H3
- InChI Key
- USJQAGNLQGISSN-UHFFFAOYSA-N
- Formula
- C23H36O4
- SMILES
-
CCCCCOC(=O)C1CCCCC1C(=O)OC1C2C
C3CC(C2)CC1C3 - Molecular Weight1
- 376.53
- 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° | -153.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -802.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.52 | kJ/mol | Joback Calculated Property |
| log10WS | -5.42 | Crippen Calculated Property | |
| logPoct/wat | 4.894 | Crippen Calculated Property | |
| McVol | 306.370 | ml/mol | McGowan Calculated Property |
| Pc | 1263.75 | kPa | Joback Calculated Property |
| Inp | [2765.00; 2765.00] |
|
|
| Inp | 2765.00 | NIST | |
| Inp | 2765.00 | NIST | |
| Tboil | 908.25 | K | Joback Calculated Property |
| Tc | 1128.00 | K | Joback Calculated Property |
| Tfus | 538.25 | K | Joback Calculated Property |
| Vc | 1.165 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1118.24; 1220.92] | J/mol×K | [908.25; 1128.00] |
|
| Cp,gas | 1118.24 | J/mol×K | 908.25 | Joback Calculated Property |
| Cp,gas | 1138.84 | J/mol×K | 944.88 | Joback Calculated Property |
| Cp,gas | 1157.92 | J/mol×K | 981.50 | Joback Calculated Property |
| Cp,gas | 1175.57 | J/mol×K | 1018.13 | Joback Calculated Property |
| Cp,gas | 1191.89 | J/mol×K | 1054.75 | Joback Calculated Property |
| Cp,gas | 1206.97 | J/mol×K | 1091.38 | Joback Calculated Property |
| Cp,gas | 1220.92 | J/mol×K | 1128.00 | Joback Calculated Property |
| η | [0.0018437; 0.0047836] | Pa×s | [538.25; 908.25] |
|
| η | 0.0047836 | Pa×s | 538.25 | Joback Calculated Property |
| η | 0.0037607 | Pa×s | 599.92 | Joback Calculated Property |
| η | 0.0030922 | Pa×s | 661.58 | Joback Calculated Property |
| η | 0.0026288 | Pa×s | 723.25 | Joback Calculated Property |
| η | 0.0022926 | Pa×s | 784.92 | Joback Calculated Property |
| η | 0.0020397 | Pa×s | 846.58 | Joback Calculated Property |
| η | 0.0018437 | Pa×s | 908.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl pentyl ester.
Sources
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