- InChI
- InChI=1S/C27H44O4/c1-5-7-8-9-10-11-12-13-14-15-16-21-30-26(28)23-17-19-24(20-18-23)27(29)31-25(6-2)22(3)4/h17-20,22,25H,5-16,21H2,1-4H3
- InChI Key
- PUIPASLMTUENLR-UHFFFAOYSA-N
- Formula
- C27H44O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccc(C(=O)
OC(CC)C(C)C)cc1 - Molecular Weight1
- 432.64
- 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).
- Inp : Non-polar retention indices.
- 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° | -193.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -875.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.17 | kJ/mol | Joback Calculated Property |
| log10WS | -8.94 | Crippen Calculated Property | |
| logPoct/wat | 7.746 | Crippen Calculated Property | |
| McVol | 382.410 | ml/mol | McGowan Calculated Property |
| Pc | 872.22 | kPa | Joback Calculated Property |
| Inp | 3062.00 | NIST | |
| Tboil | 1000.52 | K | Joback Calculated Property |
| Tc | 1225.74 | K | Joback Calculated Property |
| Tfus | 547.31 | K | Joback Calculated Property |
| Vc | 1.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1307.09; 1389.27] | J/mol×K | [1000.52; 1225.74] | 
|
| Cp,gas | 1307.09 | J/mol×K | 1000.52 | Joback Calculated Property |
| Cp,gas | 1324.74 | J/mol×K | 1038.06 | Joback Calculated Property |
| Cp,gas | 1340.74 | J/mol×K | 1075.59 | Joback Calculated Property |
| Cp,gas | 1355.13 | J/mol×K | 1113.13 | Joback Calculated Property |
| Cp,gas | 1367.98 | J/mol×K | 1150.67 | Joback Calculated Property |
| Cp,gas | 1379.34 | J/mol×K | 1188.20 | Joback Calculated Property |
| Cp,gas | 1389.27 | J/mol×K | 1225.74 | Joback Calculated Property |
| η | [0.0000162; 0.0003310] | Pa×s | [547.31; 1000.52] |
|
| η | 0.0003310 | Pa×s | 547.31 | Joback Calculated Property |
| η | 0.0001475 | Pa×s | 622.84 | Joback Calculated Property |
| η | 0.0000783 | Pa×s | 698.38 | Joback Calculated Property |
| η | 0.0000470 | Pa×s | 773.91 | Joback Calculated Property |
| η | 0.0000309 | Pa×s | 849.45 | Joback Calculated Property |
| η | 0.0000218 | Pa×s | 924.99 | Joback Calculated Property |
| η | 0.0000162 | Pa×s | 1000.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2-methylpent-3-yl tridecyl ester.
Sources
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