- InChI
- InChI=1S/C26H42O4/c1-6-7-8-9-10-11-12-13-14-15-19-29-24(27)22-17-16-18-23(20-22)25(28)30-21(2)26(3,4)5/h16-18,20-21H,6-15,19H2,1-5H3
- InChI Key
- KJOGNTRKUYZRCC-UHFFFAOYSA-N
- Formula
- C26H42O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
OC(C)C(C)(C)C)c1 - Molecular Weight1
- 418.61
- 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° | -196.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -858.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.04 | kJ/mol | Joback Calculated Property |
| log10WS | -8.52 | Crippen Calculated Property | |
| logPoct/wat | 7.356 | Crippen Calculated Property | |
| McVol | 368.320 | ml/mol | McGowan Calculated Property |
| Pc | 930.07 | kPa | Joback Calculated Property |
| Inp | [2895.00; 2895.00] |
|
|
| Inp | 2895.00 | NIST | |
| Inp | 2895.00 | NIST | |
| Tboil | 974.85 | K | Joback Calculated Property |
| Tc | 1193.64 | K | Joback Calculated Property |
| Tfus | 553.46 | K | Joback Calculated Property |
| Vc | 1.415 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1243.96; 1328.91] | J/mol×K | [974.85; 1193.64] |
|
| Cp,gas | 1243.96 | J/mol×K | 974.85 | Joback Calculated Property |
| Cp,gas | 1261.44 | J/mol×K | 1011.31 | Joback Calculated Property |
| Cp,gas | 1277.49 | J/mol×K | 1047.78 | Joback Calculated Property |
| Cp,gas | 1292.20 | J/mol×K | 1084.24 | Joback Calculated Property |
| Cp,gas | 1305.62 | J/mol×K | 1120.71 | Joback Calculated Property |
| Cp,gas | 1317.83 | J/mol×K | 1157.17 | Joback Calculated Property |
| Cp,gas | 1328.91 | J/mol×K | 1193.64 | Joback Calculated Property |
| η | [0.0000158; 0.0002960] | Pa×s | [553.46; 974.85] |
|
| η | 0.0002960 | Pa×s | 553.46 | Joback Calculated Property |
| η | 0.0001378 | Pa×s | 623.69 | Joback Calculated Property |
| η | 0.0000749 | Pa×s | 693.92 | Joback Calculated Property |
| η | 0.0000456 | Pa×s | 764.15 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 834.39 | Joback Calculated Property |
| η | 0.0000212 | Pa×s | 904.62 | Joback Calculated Property |
| η | 0.0000158 | Pa×s | 974.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,3-dimethylbut-2-yl dodecyl ester.
Sources
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