- InChI
- InChI=1S/C39H66O6/c1-4-7-10-13-16-19-22-25-30-43-37(40)34-28-29-35(38(41)44-31-26-23-20-17-14-11-8-5-2)36(33-34)39(42)45-32-27-24-21-18-15-12-9-6-3/h28-29,33H,4-27,30-32H2,1-3H3
- InChI Key
- SMYKBXMWXCZOLU-UHFFFAOYSA-N
- Formula
- C39H66O6
- SMILES
-
CCCCCCCCCCOC(=O)c1ccc(C(=O)OCC
CCCCCCCC)c(C(=O)OCCCCCCCCCC)c1 - Molecular Weight1
- 630.94
- CAS
- 4130-35-2
- Other Names
-
- tridecyl benzene-1,2,4-tricarboxylate
- 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° | -331.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1369.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 98.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.48 | kJ/mol | Joback Calculated Property |
| log10WS | -13.50 | Crippen Calculated Property | |
| logPoct/wat | 11.579 | Crippen Calculated Property | |
| McVol | 558.930 | ml/mol | McGowan Calculated Property |
| Pc | 488.82 | kPa | Joback Calculated Property |
| Tboil | 1357.23 | K | Joback Calculated Property |
| Tc | 1870.49 | K | Joback Calculated Property |
| Tfus | 797.23 | K | Joback Calculated Property |
| Vc | 2.183 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2049.36; 2103.94] | J/mol×K | [1357.23; 1870.49] | 
|
| Cp,gas | 2089.24 | J/mol×K | 1357.23 | Joback Calculated Property |
| Cp,gas | 2100.83 | J/mol×K | 1442.77 | Joback Calculated Property |
| Cp,gas | 2103.94 | J/mol×K | 1528.32 | Joback Calculated Property |
| Cp,gas | 2099.46 | J/mol×K | 1613.86 | Joback Calculated Property |
| Cp,gas | 2088.27 | J/mol×K | 1699.40 | Joback Calculated Property |
| Cp,gas | 2071.28 | J/mol×K | 1784.94 | Joback Calculated Property |
| Cp,gas | 2049.36 | J/mol×K | 1870.49 | Joback Calculated Property |
| η | [0.0000019; 0.0000257] | Pa×s | [797.23; 1357.23] |
|
| η | 0.0000257 | Pa×s | 797.23 | Joback Calculated Property |
| η | 0.0000133 | Pa×s | 890.56 | Joback Calculated Property |
| η | 0.0000078 | Pa×s | 983.90 | Joback Calculated Property |
| η | 0.0000050 | Pa×s | 1077.23 | Joback Calculated Property |
| η | 0.0000035 | Pa×s | 1170.56 | Joback Calculated Property |
| η | 0.0000025 | Pa×s | 1263.90 | Joback Calculated Property |
| η | 0.0000019 | Pa×s | 1357.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4-Benzenetricarboxylic acid, tridecyl ester (iso).
Sources
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