- InChI
- InChI=1S/C26H42O4/c1-2-3-4-5-6-9-12-29-25(27)22-10-7-8-11-23(22)26(28)30-24-20-14-18-13-19(16-20)17-21(24)15-18/h18-24H,2-17H2,1H3
- InChI Key
- SQJXYLNCTLYURH-UHFFFAOYSA-N
- Formula
- C26H42O4
- SMILES
-
CCCCCCCCOC(=O)C1CCCCC1C(=O)OC1
C2CC3CC(C2)CC1C3 - Molecular Weight1
- 418.61
- 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° | -128.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -864.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.20 | kJ/mol | Joback Calculated Property |
| log10WS | -6.67 | Crippen Calculated Property | |
| logPoct/wat | 6.064 | Crippen Calculated Property | |
| McVol | 348.640 | ml/mol | McGowan Calculated Property |
| Pc | 1039.91 | kPa | Joback Calculated Property |
| Inp | [3085.00; 3085.00] |
|
|
| Inp | 3085.00 | NIST | |
| Inp | 3085.00 | NIST | |
| Tboil | 976.89 | K | Joback Calculated Property |
| Tc | 1199.82 | K | Joback Calculated Property |
| Tfus | 572.06 | K | Joback Calculated Property |
| Vc | 1.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1308.82; 1411.29] | J/mol×K | [976.89; 1199.82] |
|
| Cp,gas | 1308.82 | J/mol×K | 976.89 | Joback Calculated Property |
| Cp,gas | 1329.35 | J/mol×K | 1014.05 | Joback Calculated Property |
| Cp,gas | 1348.35 | J/mol×K | 1051.20 | Joback Calculated Property |
| Cp,gas | 1365.94 | J/mol×K | 1088.36 | Joback Calculated Property |
| Cp,gas | 1382.21 | J/mol×K | 1125.51 | Joback Calculated Property |
| Cp,gas | 1397.29 | J/mol×K | 1162.67 | Joback Calculated Property |
| Cp,gas | 1411.29 | J/mol×K | 1199.82 | Joback Calculated Property |
| η | [0.0013667; 0.0041770] | Pa×s | [572.06; 976.89] |
|
| η | 0.0041770 | Pa×s | 572.06 | Joback Calculated Property |
| η | 0.0031430 | Pa×s | 639.53 | Joback Calculated Property |
| η | 0.0024969 | Pa×s | 707.00 | Joback Calculated Property |
| η | 0.0020648 | Pa×s | 774.47 | Joback Calculated Property |
| η | 0.0017602 | Pa×s | 841.95 | Joback Calculated Property |
| η | 0.0015365 | Pa×s | 909.42 | Joback Calculated Property |
| η | 0.0013667 | Pa×s | 976.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl octyl ester.
Sources
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