- InChI
- InChI=1S/C26H46O4/c1-3-4-5-6-7-8-9-10-15-20-29-25(27)22-17-12-13-18-23(22)26(28)30-24-19-14-11-16-21(24)2/h21-24H,3-20H2,1-2H3
- InChI Key
- LLXISYREWPSUIU-UHFFFAOYSA-N
- Formula
- C26H46O4
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)
OC1CCCCC1C - Molecular Weight1
- 422.64
- 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° | -266.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1001.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.02 | kJ/mol | Joback Calculated Property |
| log10WS | -7.61 | Crippen Calculated Property | |
| logPoct/wat | 6.989 | Crippen Calculated Property | |
| McVol | 370.360 | ml/mol | McGowan Calculated Property |
| Pc | 930.64 | kPa | Joback Calculated Property |
| Inp | [2943.00; 2943.00] |
|
|
| Inp | 2943.00 | NIST | |
| Inp | 2943.00 | NIST | |
| Tboil | 976.62 | K | Joback Calculated Property |
| Tc | 1196.72 | K | Joback Calculated Property |
| Tfus | 533.38 | K | Joback Calculated Property |
| Vc | 1.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1346.66; 1431.80] | J/mol×K | [976.62; 1196.72] |
|
| Cp,gas | 1346.66 | J/mol×K | 976.62 | Joback Calculated Property |
| Cp,gas | 1365.95 | J/mol×K | 1013.30 | Joback Calculated Property |
| Cp,gas | 1383.14 | J/mol×K | 1049.99 | Joback Calculated Property |
| Cp,gas | 1398.29 | J/mol×K | 1086.67 | Joback Calculated Property |
| Cp,gas | 1411.42 | J/mol×K | 1123.35 | Joback Calculated Property |
| Cp,gas | 1422.57 | J/mol×K | 1160.03 | Joback Calculated Property |
| Cp,gas | 1431.80 | J/mol×K | 1196.72 | Joback Calculated Property |
| η | [0.0000407; 0.0006456] | Pa×s | [533.38; 976.62] |
|
| η | 0.0006456 | Pa×s | 533.38 | Joback Calculated Property |
| η | 0.0003077 | Pa×s | 607.25 | Joback Calculated Property |
| η | 0.0001723 | Pa×s | 681.13 | Joback Calculated Property |
| η | 0.0001080 | Pa×s | 755.00 | Joback Calculated Property |
| η | 0.0000736 | Pa×s | 828.87 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 902.75 | Joback Calculated Property |
| η | 0.0000407 | Pa×s | 976.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl undecyl ester.
Sources
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