- InChI
- InChI=1S/C33H60O6/c1-22(2)16-31(7,8)19-37-28(34)25-13-14-26(29(35)38-20-32(9,10)17-23(3)4)27(15-25)30(36)39-21-33(11,12)18-24(5)6/h22-27H,13-21H2,1-12H3
- InChI Key
- ZVATUIQDXPRJFN-UHFFFAOYSA-N
- Formula
- C33H60O6
- SMILES
-
CC(C)CC(C)(C)COC(=O)C1CCC(C(=O
)OCC(C)(C)CC(C)C)C(C(=O)OCC(C) (C)CC(C)C)C1 - Molecular Weight1
- 552.83
- CAS
- 116401-25-3
- 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).
- 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° | -464.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1487.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.28 | kJ/mol | Joback Calculated Property |
| log10WS | -7.94 | Crippen Calculated Property | |
| logPoct/wat | 7.865 | Crippen Calculated Property | |
| McVol | 487.290 | ml/mol | McGowan Calculated Property |
| Pc | 616.34 | kPa | Joback Calculated Property |
| Tboil | 1182.51 | K | Joback Calculated Property |
| Tc | 1465.81 | K | Joback Calculated Property |
| Tfus | 639.31 | K | Joback Calculated Property |
| Vc | 1.835 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1842.19; 1911.45] | J/mol×K | [1182.51; 1465.81] | 
|
|
T(K) Ideal gas heat capacity (J/mol×K) 1840 1850 1860 1870 1880 1890 1900 1910 1200 1300 1400 | ||||
| Cp,gas | 1842.19 | J/mol×K | 1182.51 | Joback Calculated Property |
| Cp,gas | 1859.21 | J/mol×K | 1229.73 | Joback Calculated Property |
| Cp,gas | 1873.74 | J/mol×K | 1276.94 | Joback Calculated Property |
| Cp,gas | 1886.00 | J/mol×K | 1324.16 | Joback Calculated Property |
| Cp,gas | 1896.22 | J/mol×K | 1371.38 | Joback Calculated Property |
| Cp,gas | 1904.63 | J/mol×K | 1418.60 | Joback Calculated Property |
| Cp,gas | 1911.45 | J/mol×K | 1465.81 | Joback Calculated Property |
| η | [0.0000026; 0.0000936] | Pa×s | [639.31; 1182.51] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 2.00e-5 4.00e-5 6.00e-5 8.00e-5 1.00e-4 800 1000 | ||||
| η | 0.0000936 | Pa×s | 639.31 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 729.84 | Joback Calculated Property |
| η | 0.0000167 | Pa×s | 820.38 | Joback Calculated Property |
| η | 0.0000092 | Pa×s | 910.91 | Joback Calculated Property |
| η | 0.0000056 | Pa×s | 1001.44 | Joback Calculated Property |
| η | 0.0000037 | Pa×s | 1091.98 | Joback Calculated Property |
| η | 0.0000026 | Pa×s | 1182.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4-Cyclohexanetricarboxylic acid, 2,2,4-trimethylpentyl ester.
Sources
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