- InChI
- InChI=1S/C28H46O4/c1-6-7-8-9-10-11-12-13-14-15-18-21-31-27(29)24-19-16-17-20-25(24)28(30)32-26(22(2)3)23(4)5/h16-17,19-20,22-23,26H,6-15,18,21H2,1-5H3
- InChI Key
- IOKYJDBUNKIZCM-UHFFFAOYSA-N
- Formula
- C28H46O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OC(C(C)C)C(C)C - 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° | -187.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -901.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.01 | kJ/mol | Joback Calculated Property |
| log10WS | -9.12 | Crippen Calculated Property | |
| logPoct/wat | 7.992 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 828.59 | kPa | Joback Calculated Property |
| Inp | 3004.00 | NIST | |
| Tboil | 1022.96 | K | Joback Calculated Property |
| Tc | 1254.27 | K | Joback Calculated Property |
| Tfus | 543.58 | K | Joback Calculated Property |
| Vc | 1.526 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1370.42; 1451.76] | J/mol×K | [1022.96; 1254.27] | 
|
| Cp,gas | 1370.42 | J/mol×K | 1022.96 | Joback Calculated Property |
| Cp,gas | 1388.20 | J/mol×K | 1061.51 | Joback Calculated Property |
| Cp,gas | 1404.20 | J/mol×K | 1100.06 | Joback Calculated Property |
| Cp,gas | 1418.49 | J/mol×K | 1138.62 | Joback Calculated Property |
| Cp,gas | 1431.14 | J/mol×K | 1177.17 | Joback Calculated Property |
| Cp,gas | 1442.20 | J/mol×K | 1215.72 | Joback Calculated Property |
| Cp,gas | 1451.76 | J/mol×K | 1254.27 | Joback Calculated Property |
| η | [0.0000126; 0.0003269] | Pa×s | [543.58; 1022.96] |
|
| η | 0.0003269 | Pa×s | 543.58 | Joback Calculated Property |
| η | 0.0001341 | Pa×s | 623.48 | Joback Calculated Property |
| η | 0.0000674 | Pa×s | 703.37 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 783.27 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 863.17 | Joback Calculated Property |
| η | 0.0000172 | Pa×s | 943.06 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 1022.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2,4-dimethylpent-3-yl tridecyl ester.
Sources
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