- InChI
- InChI=1S/C29H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-27(30)25-20-19-21-26(23-25)28(31)33-24-29(2,3)4/h19-21,23H,5-18,22,24H2,1-4H3
- InChI Key
- BFRHELRKLRTXIW-UHFFFAOYSA-N
- Formula
- C29H48O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1cccc(C
(=O)OCC(C)(C)C)c1 - Molecular Weight1
- 460.69
- 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 | 1.2820 | Relay (1.0) Calculated Property | |
| ΔfG° | -168.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1050.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.528 | Crippen Calculated Property | |
| McVol | 410.590 | ml/mol | McGowan Calculated Property |
| Pc | 782.43 | kPa | Joback Calculated Property |
| Inp | [3356.00; 3356.00] |
|
|
| Inp | 3356.00 | NIST | |
| Inp | 3356.00 | NIST | |
| Tboil | 697.85 | K | Relay (1.0) Calculated Property |
| Tc | 894.18 | K | Relay (1.0) Calculated Property |
| Tfus | 337.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.564 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1432.98; 1521.67] | J/mol×K | [1043.93; 1282.64] |
|
| Cp,gas | 1432.98 | J/mol×K | 1043.93 | Joback Calculated Property |
| Cp,gas | 1451.55 | J/mol×K | 1083.72 | Joback Calculated Property |
| Cp,gas | 1468.47 | J/mol×K | 1123.50 | Joback Calculated Property |
| Cp,gas | 1483.84 | J/mol×K | 1163.29 | Joback Calculated Property |
| Cp,gas | 1497.76 | J/mol×K | 1203.07 | Joback Calculated Property |
| Cp,gas | 1510.33 | J/mol×K | 1242.86 | Joback Calculated Property |
| Cp,gas | 1521.67 | J/mol×K | 1282.64 | Joback Calculated Property |
| η | [0.0000107; 0.0001776] | Pa×s | [602.27; 1043.93] |
|
| η | 0.0001776 | Pa×s | 602.27 | Joback Calculated Property |
| η | 0.0000861 | Pa×s | 675.88 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 749.49 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 823.10 | Joback Calculated Property |
| η | 0.0000201 | Pa×s | 896.71 | Joback Calculated Property |
| η | 0.0000143 | Pa×s | 970.32 | Joback Calculated Property |
| η | 0.0000107 | Pa×s | 1043.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexadecyl neopentyl ester.
Sources
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