- InChI
- InChI=1S/C33H54O6/c1-4-7-10-13-16-19-24-37-31(34)28-22-23-29(32(35)38-25-20-17-14-11-8-5-2)30(27-28)33(36)39-26-21-18-15-12-9-6-3/h22-23,27H,4-21,24-26H2,1-3H3
- InChI Key
- JNXDCMUUZNIWPQ-UHFFFAOYSA-N
- Formula
- C33H54O6
- SMILES
-
CCCCCCCCOC(=O)c1ccc(C(=O)OCCCC
CCCC)c(C(=O)OCCCCCCCC)c1 - Molecular Weight1
- 546.78
- CAS
- 89-04-3
- Other Names
-
- trioctyl benzene-1,2,4-tricarboxylate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.5530 | Relay (1.0) Calculated Property | |
| ΔfG° | -381.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1420.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 82.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.239 | Crippen Calculated Property | |
| McVol | 474.390 | ml/mol | McGowan Calculated Property |
| Pc | 641.90 | kPa | Joback Calculated Property |
| Tboil | 740.20 | K | Relay (1.0) Calculated Property |
| Tc | 932.45 | K | Relay (1.0) Calculated Property |
| Tfus | 287.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.805 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1716.89; 1748.94] | J/mol×K | [1219.95; 1561.56] | 
|
| Cp,gas | 1716.89 | J/mol×K | 1219.95 | Joback Calculated Property |
| Cp,gas | 1730.99 | J/mol×K | 1276.89 | Joback Calculated Property |
| Cp,gas | 1740.91 | J/mol×K | 1333.82 | Joback Calculated Property |
| Cp,gas | 1746.83 | J/mol×K | 1390.76 | Joback Calculated Property |
| Cp,gas | 1748.94 | J/mol×K | 1447.69 | Joback Calculated Property |
| Cp,gas | 1747.42 | J/mol×K | 1504.63 | Joback Calculated Property |
| Cp,gas | 1742.46 | J/mol×K | 1561.56 | Joback Calculated Property |
| η | [0.0000052; 0.0000608] | Pa×s | [729.61; 1219.95] |
|
| η | 0.0000608 | Pa×s | 729.61 | Joback Calculated Property |
| η | 0.0000329 | Pa×s | 811.33 | Joback Calculated Property |
| η | 0.0000199 | Pa×s | 893.06 | Joback Calculated Property |
| η | 0.0000131 | Pa×s | 974.78 | Joback Calculated Property |
| η | 0.0000092 | Pa×s | 1056.50 | Joback Calculated Property |
| η | 0.0000068 | Pa×s | 1138.23 | Joback Calculated Property |
| η | 0.0000052 | Pa×s | 1219.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4-Benzenetricarboxylic acid, trioctyl ester.
Sources
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