- InChI
- InChI=1S/C19H28O4/c1-5-6-7-8-12-22-17(20)15-10-9-11-16(13-15)18(21)23-14-19(2,3)4/h9-11,13H,5-8,12,14H2,1-4H3
- InChI Key
- GFKIKFPNEUVHLG-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OCC(C)
(C)C)c1 - Molecular Weight1
- 320.42
- 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° | -253.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.84 | kJ/mol | Joback Calculated Property |
| log10WS | -5.48 | Crippen Calculated Property | |
| logPoct/wat | 4.627 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Pc | 1462.37 | kPa | Joback Calculated Property |
| Inp | 2311.00 | NIST | |
| Tboil | 815.13 | K | Joback Calculated Property |
| Tc | 1020.72 | K | Joback Calculated Property |
| Tfus | 489.57 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [820.35; 900.96] | J/mol×K | [815.13; 1020.72] | 
|
| Cp,gas | 820.35 | J/mol×K | 815.13 | Joback Calculated Property |
| Cp,gas | 836.47 | J/mol×K | 849.40 | Joback Calculated Property |
| Cp,gas | 851.47 | J/mol×K | 883.66 | Joback Calculated Property |
| Cp,gas | 865.37 | J/mol×K | 917.93 | Joback Calculated Property |
| Cp,gas | 878.23 | J/mol×K | 952.19 | Joback Calculated Property |
| Cp,gas | 890.08 | J/mol×K | 986.46 | Joback Calculated Property |
| Cp,gas | 900.96 | J/mol×K | 1020.72 | Joback Calculated Property |
| η | [0.0000502; 0.0006091] | Pa×s | [489.57; 815.13] |
|
| η | 0.0006091 | Pa×s | 489.57 | Joback Calculated Property |
| η | 0.0003266 | Pa×s | 543.83 | Joback Calculated Property |
| η | 0.0001960 | Pa×s | 598.09 | Joback Calculated Property |
| η | 0.0001281 | Pa×s | 652.35 | Joback Calculated Property |
| η | 0.0000894 | Pa×s | 706.61 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 760.87 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 815.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl neopentyl ester.
Sources
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