- InChI
- InChI=1S/C33H54O6/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/h13-15,22-24H,16-21H2,1-12H3
- InChI Key
- GFNQLDIWJXUYKC-UHFFFAOYSA-N
- Formula
- C33H54O6
- 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
- 546.78
- CAS
- 53046-84-7
- 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° | -380.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1287.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.07 | kJ/mol | Joback Calculated Property |
| log10WS | -9.54 | Crippen Calculated Property | |
| logPoct/wat | 8.374 | Crippen Calculated Property | |
| McVol | 474.390 | ml/mol | McGowan Calculated Property |
| Pc | 669.08 | kPa | Joback Calculated Property |
| Tboil | 1208.94 | K | Joback Calculated Property |
| Tc | 1498.91 | K | Joback Calculated Property |
| Tfus | 691.87 | K | Joback Calculated Property |
| Vc | 1.796 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1724.23; 1803.57] | J/mol×K | [1208.94; 1498.91] | 
|
| Cp,gas | 1724.23 | J/mol×K | 1208.94 | Joback Calculated Property |
| Cp,gas | 1740.94 | J/mol×K | 1257.27 | Joback Calculated Property |
| Cp,gas | 1755.91 | J/mol×K | 1305.60 | Joback Calculated Property |
| Cp,gas | 1769.40 | J/mol×K | 1353.93 | Joback Calculated Property |
| Cp,gas | 1781.67 | J/mol×K | 1402.26 | Joback Calculated Property |
| Cp,gas | 1792.97 | J/mol×K | 1450.58 | Joback Calculated Property |
| Cp,gas | 1803.57 | J/mol×K | 1498.91 | Joback Calculated Property |
| η | [0.0000015; 0.0000382] | Pa×s | [691.87; 1208.94] |
|
| η | 0.0000382 | Pa×s | 691.87 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 778.05 | Joback Calculated Property |
| η | 0.0000083 | Pa×s | 864.23 | Joback Calculated Property |
| η | 0.0000048 | Pa×s | 950.40 | Joback Calculated Property |
| η | 0.0000030 | Pa×s | 1036.58 | Joback Calculated Property |
| η | 0.0000020 | Pa×s | 1122.76 | Joback Calculated Property |
| η | 0.0000015 | Pa×s | 1208.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trimellitic acid, 2,2,4-trimethylpentyl ester.
Sources
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