- InChI
- InChI=1S/C22H34O4/c1-5-6-7-8-9-10-11-15-25-20(23)18-13-12-14-19(16-18)21(24)26-17-22(2,3)4/h12-14,16H,5-11,15,17H2,1-4H3
- InChI Key
- GCSLDJWHOZJSFT-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)OCC
(C)(C)C)c1 - Molecular Weight1
- 362.50
- 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° | -227.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -770.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.52 | kJ/mol | Joback Calculated Property |
| log10WS | -6.74 | Crippen Calculated Property | |
| logPoct/wat | 5.797 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1186.60 | kPa | Joback Calculated Property |
| Inp | 2623.00 | NIST | |
| Tboil | 883.77 | K | Joback Calculated Property |
| Tc | 1090.17 | K | Joback Calculated Property |
| Tfus | 523.38 | K | Joback Calculated Property |
| Vc | 1.196 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.84; 1080.45] | J/mol×K | [883.77; 1090.17] | 
|
| Cp,gas | 997.84 | J/mol×K | 883.77 | Joback Calculated Property |
| Cp,gas | 1014.47 | J/mol×K | 918.17 | Joback Calculated Property |
| Cp,gas | 1029.90 | J/mol×K | 952.57 | Joback Calculated Property |
| Cp,gas | 1044.16 | J/mol×K | 986.97 | Joback Calculated Property |
| Cp,gas | 1057.31 | J/mol×K | 1021.37 | Joback Calculated Property |
| Cp,gas | 1069.39 | J/mol×K | 1055.77 | Joback Calculated Property |
| Cp,gas | 1080.45 | J/mol×K | 1090.17 | Joback Calculated Property |
| η | [0.0000322; 0.0004346] | Pa×s | [523.38; 883.77] |
|
| η | 0.0004346 | Pa×s | 523.38 | Joback Calculated Property |
| η | 0.0002253 | Pa×s | 583.44 | Joback Calculated Property |
| η | 0.0001320 | Pa×s | 643.51 | Joback Calculated Property |
| η | 0.0000847 | Pa×s | 703.57 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 763.64 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 823.70 | Joback Calculated Property |
| η | 0.0000322 | Pa×s | 883.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, neopentyl nonyl ester.
Sources
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