- 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
- 630.95
- Other Names
-
- tridecyl benzene-1,2,4-tricarboxylate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 |
|---|---|---|---|
| ω | 1.7648 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1542.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 103.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 155.78 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -10.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.579 | Crippen Calculated Property | |
| McVol | 558.930 | ml/mol | McGowan Calculated Property |
| Pc | 463.28 | kPa | Joback Calculated Property |
| Tboil | 778.34 | K | Relay (1.0) Calculated Property |
| Tc | 968.21 | K | Relay (1.0) Calculated Property |
| Tfus | 293.23 | K | Relay (1.0) Calculated Property |
| Vc | 2.134 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2028.53; 2077.67] | J/mol×K | [1303.22; 1767.46] | 
|
| Cp,gas | 2063.02 | J/mol×K | 1303.22 | Joback Calculated Property |
| Cp,gas | 2074.21 | J/mol×K | 1380.59 | Joback Calculated Property |
| Cp,gas | 2077.67 | J/mol×K | 1457.97 | Joback Calculated Property |
| Cp,gas | 2074.12 | J/mol×K | 1535.34 | Joback Calculated Property |
| Cp,gas | 2064.27 | J/mol×K | 1612.72 | Joback Calculated Property |
| Cp,gas | 2048.83 | J/mol×K | 1690.09 | Joback Calculated Property |
| Cp,gas | 2028.53 | J/mol×K | 1767.46 | Joback Calculated Property |
| η | [0.0000012; 0.0000313] | Pa×s | [707.74; 1303.22] |
|
| η | 0.0000313 | Pa×s | 707.74 | Joback Calculated Property |
| η | 0.0000130 | Pa×s | 806.99 | Joback Calculated Property |
| η | 0.0000065 | Pa×s | 906.23 | Joback Calculated Property |
| η | 0.0000037 | Pa×s | 1005.48 | Joback Calculated Property |
| η | 0.0000024 | Pa×s | 1104.73 | Joback Calculated Property |
| η | 0.0000016 | Pa×s | 1203.97 | Joback Calculated Property |
| η | 0.0000012 | Pa×s | 1303.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4-Benzenetricarboxylic acid, tridecyl ester (iso).
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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