- InChI
- InChI=1S/C24H46O4/c1-19(2)17-23(5,6)13-15-27-21(25)11-9-10-12-22(26)28-16-14-24(7,8)18-20(3)4/h19-20H,9-18H2,1-8H3
- InChI Key
- BVDJZDODWHVXPA-UHFFFAOYSA-N
- Formula
- C24H46O4
- SMILES
-
CC(C)CC(C)(C)CCOC(=O)CCCCC(=O)
OCCC(C)(C)CC(C)C - Molecular Weight1
- 398.62
- CAS
- 13007-41-5
- Other Names
-
- Hexanedioic acid, di-(3,3,5-trimethylhexyl) ester
- Bis(3,3,5-trimethylhexyl) hexanedioate
- 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° | -315.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1056.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.96 | kJ/mol | Joback Calculated Property |
| log10WS | -6.63 | Crippen Calculated Property | |
| logPoct/wat | 6.558 | Crippen Calculated Property | |
| McVol | 363.900 | ml/mol | McGowan Calculated Property |
| Pc | 877.39 | kPa | Joback Calculated Property |
| Tboil | 893.76 | K | Joback Calculated Property |
| Tc | 1095.04 | K | Joback Calculated Property |
| Tfus | 479.40 | K | Joback Calculated Property |
| Vc | 1.393 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1218.60; 1318.71] | J/mol×K | [893.76; 1095.04] | 
|
| Cp,gas | 1218.60 | J/mol×K | 893.76 | Joback Calculated Property |
| Cp,gas | 1238.26 | J/mol×K | 927.31 | Joback Calculated Property |
| Cp,gas | 1256.64 | J/mol×K | 960.85 | Joback Calculated Property |
| Cp,gas | 1273.81 | J/mol×K | 994.40 | Joback Calculated Property |
| Cp,gas | 1289.83 | J/mol×K | 1027.95 | Joback Calculated Property |
| Cp,gas | 1304.78 | J/mol×K | 1061.50 | Joback Calculated Property |
| Cp,gas | 1318.71 | J/mol×K | 1095.04 | Joback Calculated Property |
| η | [0.0000149; 0.0006231] | Pa×s | [479.40; 893.76] |
|
| η | 0.0006231 | Pa×s | 479.40 | Joback Calculated Property |
| η | 0.0002259 | Pa×s | 548.46 | Joback Calculated Property |
| η | 0.0001027 | Pa×s | 617.52 | Joback Calculated Property |
| η | 0.0000548 | Pa×s | 686.58 | Joback Calculated Property |
| η | 0.0000327 | Pa×s | 755.64 | Joback Calculated Property |
| η | 0.0000213 | Pa×s | 824.70 | Joback Calculated Property |
| η | 0.0000149 | Pa×s | 893.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, bis(3,3,5-trimethylhexyl) ester.
Sources
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