- InChI
- InChI=1S/C18H26O5/c1-4-21-11-12-23-18(20)16-9-5-8-15(13-16)17(19)22-10-6-7-14(2)3/h5,8-9,13-14H,4,6-7,10-12H2,1-3H3
- InChI Key
- NCSFCEVRDMJSLI-UHFFFAOYSA-N
- Formula
- C18H26O5
- SMILES
-
CCOCCOC(=O)c1cccc(C(=O)OCCCC(C
)C)c1 - Molecular Weight1
- 322.40
- 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° | -371.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -816.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.473 | Crippen Calculated Property | |
| McVol | 261.470 | ml/mol | McGowan Calculated Property |
| Pc | 1541.49 | kPa | Joback Calculated Property |
| Inp | [2350.00; 2350.00] |
|
|
| Inp | 2350.00 | NIST | |
| Inp | 2350.00 | NIST | |
| Tboil | 817.46 | K | Joback Calculated Property |
| Tc | 1019.56 | K | Joback Calculated Property |
| Tfus | 483.11 | K | Joback Calculated Property |
| Vc | 0.996 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [790.54; 866.02] | J/mol×K | [817.46; 1019.56] |
|
| Cp,gas | 790.54 | J/mol×K | 817.46 | Joback Calculated Property |
| Cp,gas | 805.94 | J/mol×K | 851.14 | Joback Calculated Property |
| Cp,gas | 820.20 | J/mol×K | 884.83 | Joback Calculated Property |
| Cp,gas | 833.34 | J/mol×K | 918.51 | Joback Calculated Property |
| Cp,gas | 845.35 | J/mol×K | 952.19 | Joback Calculated Property |
| Cp,gas | 856.24 | J/mol×K | 985.88 | Joback Calculated Property |
| Cp,gas | 866.02 | J/mol×K | 1019.56 | Joback Calculated Property |
| η | [0.0000500; 0.0005741] | Pa×s | [483.11; 817.46] |
|
| η | 0.0005741 | Pa×s | 483.11 | Joback Calculated Property |
| η | 0.0003097 | Pa×s | 538.84 | Joback Calculated Property |
| η | 0.0001875 | Pa×s | 594.56 | Joback Calculated Property |
| η | 0.0001237 | Pa×s | 650.28 | Joback Calculated Property |
| η | 0.0000872 | Pa×s | 706.01 | Joback Calculated Property |
| η | 0.0000647 | Pa×s | 761.73 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 817.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-ethoxyethyl isohexyl ester.
Sources
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