- InChI
- InChI=1S/C31H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-34-29(32)27-22-21-23-28(25-27)30(33)35-26-31(2,3)4/h21-23,25H,5-20,24,26H2,1-4H3
- InChI Key
- GVWPTIXNSPJKAF-UHFFFAOYSA-N
- Formula
- C31H52O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1cccc
(C(=O)OCC(C)(C)C)c1 - Molecular Weight1
- 488.74
- 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 | 1.3527 | Relay (1.0) Calculated Property | |
| ΔfG° | -152.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1092.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.308 | Crippen Calculated Property | |
| McVol | 438.770 | ml/mol | McGowan Calculated Property |
| Pc | 704.71 | kPa | Joback Calculated Property |
| Inp | [3569.00; 3569.00] |
|
|
| Inp | 3569.00 | NIST | |
| Inp | 3569.00 | NIST | |
| Tboil | 711.02 | K | Relay (1.0) Calculated Property |
| Tc | 906.96 | K | Relay (1.0) Calculated Property |
| Tfus | 339.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.673 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1561.03; 1652.77] | J/mol×K | [1089.69; 1347.99] |
|
| Cp,gas | 1561.03 | J/mol×K | 1089.69 | Joback Calculated Property |
| Cp,gas | 1580.57 | J/mol×K | 1132.74 | Joback Calculated Property |
| Cp,gas | 1598.22 | J/mol×K | 1175.79 | Joback Calculated Property |
| Cp,gas | 1614.12 | J/mol×K | 1218.84 | Joback Calculated Property |
| Cp,gas | 1628.42 | J/mol×K | 1261.89 | Joback Calculated Property |
| Cp,gas | 1641.25 | J/mol×K | 1304.94 | Joback Calculated Property |
| Cp,gas | 1652.77 | J/mol×K | 1347.99 | Joback Calculated Property |
| η | [0.0000077; 0.0001346] | Pa×s | [624.81; 1089.69] |
|
| η | 0.0001346 | Pa×s | 624.81 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 702.29 | Joback Calculated Property |
| η | 0.0000355 | Pa×s | 779.77 | Joback Calculated Property |
| η | 0.0000219 | Pa×s | 857.25 | Joback Calculated Property |
| η | 0.0000146 | Pa×s | 934.73 | Joback Calculated Property |
| η | 0.0000103 | Pa×s | 1012.21 | Joback Calculated Property |
| η | 0.0000077 | Pa×s | 1089.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, octadecyl neopentyl ester.
Sources
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