- InChI
- InChI=1S/C27H44O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-30-25(28)23-18-17-19-24(21-23)26(29)31-22(2)27(3,4)5/h17-19,21-22H,6-16,20H2,1-5H3
- InChI Key
- WQVDFDYXTURMHS-UHFFFAOYSA-N
- Formula
- C27H44O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1cccc(C(=O
)OC(C)C(C)(C)C)c1 - 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° | -188.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -879.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.26 | 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 | 877.91 | kPa | Joback Calculated Property |
| Inp | 2998.00 | NIST | |
| Tboil | 997.73 | K | Joback Calculated Property |
| Tc | 1221.62 | K | Joback Calculated Property |
| Tfus | 564.73 | K | Joback Calculated Property |
| Vc | 1.470 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1306.64; 1392.33] | J/mol×K | [997.73; 1221.62] | 
|
| Cp,gas | 1306.64 | J/mol×K | 997.73 | Joback Calculated Property |
| Cp,gas | 1324.38 | J/mol×K | 1035.04 | Joback Calculated Property |
| Cp,gas | 1340.63 | J/mol×K | 1072.36 | Joback Calculated Property |
| Cp,gas | 1355.47 | J/mol×K | 1109.67 | Joback Calculated Property |
| Cp,gas | 1368.98 | J/mol×K | 1146.99 | Joback Calculated Property |
| Cp,gas | 1381.24 | J/mol×K | 1184.30 | Joback Calculated Property |
| Cp,gas | 1392.33 | J/mol×K | 1221.62 | Joback Calculated Property |
| η | [0.0000134; 0.0002587] | Pa×s | [564.73; 997.73] |
|
| η | 0.0002587 | Pa×s | 564.73 | Joback Calculated Property |
| η | 0.0001195 | Pa×s | 636.90 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 709.06 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 781.23 | Joback Calculated Property |
| η | 0.0000258 | Pa×s | 853.40 | Joback Calculated Property |
| η | 0.0000181 | Pa×s | 925.56 | Joback Calculated Property |
| η | 0.0000134 | Pa×s | 997.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,3-dimethylbut-2-yl tridecyl ester.
Sources
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