- InChI
- InChI=1S/C16H22O5/c1-3-4-5-9-20-15(17)13-7-6-8-14(12-13)16(18)21-11-10-19-2/h6-8,12H,3-5,9-11H2,1-2H3
- InChI Key
- HYJIBIFRLBETND-UHFFFAOYSA-N
- Formula
- C16H22O5
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)OCCOC)c
1 - Molecular Weight1
- 294.34
- 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° | -386.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -770.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 2.837 | Crippen Calculated Property | |
| McVol | 233.290 | ml/mol | McGowan Calculated Property |
| Pc | 1790.91 | kPa | Joback Calculated Property |
| Inp | [2225.00; 2225.00] |
|
|
| Inp | 2225.00 | NIST | |
| Inp | 2225.00 | NIST | |
| Tboil | 772.14 | K | Joback Calculated Property |
| Tc | 973.24 | K | Joback Calculated Property |
| Tfus | 475.57 | K | Joback Calculated Property |
| Vc | 0.889 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.30; 749.72] | J/mol×K | [772.14; 973.24] |
|
| Cp,gas | 676.30 | J/mol×K | 772.14 | Joback Calculated Property |
| Cp,gas | 691.04 | J/mol×K | 805.66 | Joback Calculated Property |
| Cp,gas | 704.79 | J/mol×K | 839.17 | Joback Calculated Property |
| Cp,gas | 717.53 | J/mol×K | 872.69 | Joback Calculated Property |
| Cp,gas | 729.27 | J/mol×K | 906.21 | Joback Calculated Property |
| Cp,gas | 739.99 | J/mol×K | 939.73 | Joback Calculated Property |
| Cp,gas | 749.72 | J/mol×K | 973.24 | Joback Calculated Property |
| η | [0.0000713; 0.0006097] | Pa×s | [475.57; 772.14] |
|
| η | 0.0006097 | Pa×s | 475.57 | Joback Calculated Property |
| η | 0.0003602 | Pa×s | 525.00 | Joback Calculated Property |
| η | 0.0002330 | Pa×s | 574.43 | Joback Calculated Property |
| η | 0.0001615 | Pa×s | 623.86 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 673.28 | Joback Calculated Property |
| η | 0.0000902 | Pa×s | 722.71 | Joback Calculated Property |
| η | 0.0000713 | Pa×s | 772.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-methoxyethyl pentyl ester.
Sources
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