- InChI
- InChI=1S/C28H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-27(29)25-18-20-26(21-19-25)28(30)32-24(4)23(2)3/h18-21,23-24H,5-17,22H2,1-4H3
- InChI Key
- DLIGMOFKAAPJSU-UHFFFAOYSA-N
- Formula
- C28H46O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1ccc(C(=
O)OC(C)C(C)C)cc1 - Molecular Weight1
- 446.66
- 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° | -185.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -896.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.40 | kJ/mol | Joback Calculated Property |
| log10WS | -9.36 | Crippen Calculated Property | |
| logPoct/wat | 8.136 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 824.79 | kPa | Joback Calculated Property |
| Inp | [3200.00; 3200.00] |
|
|
| Inp | 3200.00 | NIST | |
| Inp | 3200.00 | NIST | |
| Tboil | 1023.40 | K | Joback Calculated Property |
| Tc | 1255.68 | K | Joback Calculated Property |
| Tfus | 558.58 | K | Joback Calculated Property |
| Vc | 1.532 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1370.15; 1452.37] | J/mol×K | [1023.40; 1255.68] |
|
| Cp,gas | 1370.15 | J/mol×K | 1023.40 | Joback Calculated Property |
| Cp,gas | 1388.07 | J/mol×K | 1062.11 | Joback Calculated Property |
| Cp,gas | 1404.21 | J/mol×K | 1100.83 | Joback Calculated Property |
| Cp,gas | 1418.64 | J/mol×K | 1139.54 | Joback Calculated Property |
| Cp,gas | 1431.44 | J/mol×K | 1178.25 | Joback Calculated Property |
| Cp,gas | 1442.65 | J/mol×K | 1216.97 | Joback Calculated Property |
| Cp,gas | 1452.37 | J/mol×K | 1255.68 | Joback Calculated Property |
| η | [0.0000138; 0.0002898] | Pa×s | [558.58; 1023.40] |
|
| η | 0.0002898 | Pa×s | 558.58 | Joback Calculated Property |
| η | 0.0001282 | Pa×s | 636.05 | Joback Calculated Property |
| η | 0.0000677 | Pa×s | 713.52 | Joback Calculated Property |
| η | 0.0000405 | Pa×s | 790.99 | Joback Calculated Property |
| η | 0.0000266 | Pa×s | 868.46 | Joback Calculated Property |
| η | 0.0000187 | Pa×s | 945.93 | Joback Calculated Property |
| η | 0.0000138 | Pa×s | 1023.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 3-methylbut-2-yl pentadecyl ester.
Sources
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