- InChI
- InChI=1S/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3
- InChI Key
- GDJOUZYAIHWDCA-UHFFFAOYSA-N
- Formula
- C26H42O4
- SMILES
-
CC(CCOC(=O)c1ccccc1C(=O)OCCC(C
)CC(C)(C)C)CC(C)(C)C - Molecular Weight1
- 418.61
- CAS
- 14103-61-8
- Other Names
-
- 1,2-Benzenedicarboxylic acid, bis(3,5,5-trimethylhexyl) ester
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | -196.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -872.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.35 | kJ/mol | Joback Calculated Property |
| log10WS | -7.69 | Crippen Calculated Property | |
| logPoct/wat | 6.925 | Crippen Calculated Property | |
| McVol | 368.320 | ml/mol | McGowan Calculated Property |
| Pc | 945.58 | kPa | Joback Calculated Property |
| Tboil | 971.18 | K | Joback Calculated Property |
| Tc | 1191.23 | K | Joback Calculated Property |
| Tfus | 540.88 | K | Joback Calculated Property |
| Vc | 1.397 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1244.27; 1331.37] | J/mol×K | [971.18; 1191.23] | 
|
| Cp,gas | 1244.27 | J/mol×K | 971.18 | Joback Calculated Property |
| Cp,gas | 1261.82 | J/mol×K | 1007.85 | Joback Calculated Property |
| Cp,gas | 1278.03 | J/mol×K | 1044.53 | Joback Calculated Property |
| Cp,gas | 1292.99 | J/mol×K | 1081.20 | Joback Calculated Property |
| Cp,gas | 1306.81 | J/mol×K | 1117.88 | Joback Calculated Property |
| Cp,gas | 1319.57 | J/mol×K | 1154.55 | Joback Calculated Property |
| Cp,gas | 1331.37 | J/mol×K | 1191.23 | Joback Calculated Property |
| η | [0.0000109; 0.0002973] | Pa×s | [540.88; 971.18] |
|
| η | 0.0002973 | Pa×s | 540.88 | Joback Calculated Property |
| η | 0.0001242 | Pa×s | 612.60 | Joback Calculated Property |
| η | 0.0000623 | Pa×s | 684.31 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 756.03 | Joback Calculated Property |
| η | 0.0000224 | Pa×s | 827.75 | Joback Calculated Property |
| η | 0.0000152 | Pa×s | 899.46 | Joback Calculated Property |
| η | 0.0000109 | Pa×s | 971.18 | Joback Calculated Property |
| ΔvapH | 113.60 | kJ/mol | 363.00 | NIST |
Similar Compounds
Find more compounds similar to Bis-(3,5,5-trimethylhexyl) phthalate.
Sources
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