- InChI
- InChI=1S/C28H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-31-26(29)24-19-18-20-25(22-24)27(30)32-23(2)28(3,4)5/h18-20,22-23H,6-17,21H2,1-5H3
- InChI Key
- PUFZTGAYBLGABS-UHFFFAOYSA-N
- Formula
- C28H46O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)c1cccc(C(=
O)OC(C)C(C)(C)C)c1 - Molecular Weight1
- 446.66
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1947 | Relay (... Calculated Property | |
| ΔfG° | -179.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1030.29 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 56.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.74 | kJ/mol | Relay (... Calculated Property |
| IE | 9.37 | eV | Relay (... Calculated Property |
| log10WS | -8.09 | Relay (... Calculated Property | |
| logPoct/wat | 8.136 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 830.02 | kPa | Joback Calculated Property |
| Inp | 3104.00 | NIST | |
| Tboil | 682.17 | K | Relay (... Calculated Property |
| Tc | 887.75 | K | Relay (... Calculated Property |
| Tfus | 326.93 | K | Relay (... Calculated Property |
| Vc | 1.482 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1369.73; 1456.30] | J/mol×K | [1020.61; 1250.70] | 
|
| Cp,gas | 1369.73 | J/mol×K | 1020.61 | Joback Calculated Property |
| Cp,gas | 1387.78 | J/mol×K | 1058.96 | Joback Calculated Property |
| Cp,gas | 1404.26 | J/mol×K | 1097.31 | Joback Calculated Property |
| Cp,gas | 1419.26 | J/mol×K | 1135.65 | Joback Calculated Property |
| Cp,gas | 1432.88 | J/mol×K | 1174.00 | Joback Calculated Property |
| Cp,gas | 1445.19 | J/mol×K | 1212.35 | Joback Calculated Property |
| Cp,gas | 1456.30 | J/mol×K | 1250.70 | Joback Calculated Property |
| η | [0.0000114; 0.0002256] | Pa×s | [576.00; 1020.61] |
|
| η | 0.0002256 | Pa×s | 576.00 | Joback Calculated Property |
| η | 0.0001033 | Pa×s | 650.10 | Joback Calculated Property |
| η | 0.0000556 | Pa×s | 724.20 | Joback Calculated Property |
| η | 0.0000335 | Pa×s | 798.31 | Joback Calculated Property |
| η | 0.0000220 | Pa×s | 872.41 | Joback Calculated Property |
| η | 0.0000155 | Pa×s | 946.51 | Joback Calculated Property |
| η | 0.0000114 | Pa×s | 1020.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,3-dimethylbut-2-yl tetradecyl ester.
Sources
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