- InChI
- InChI=1S/C20H22O4/c1-2-13-23-19(21)17-11-6-12-18(15-17)20(22)24-14-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,15H,2,7,10,13-14H2,1H3
- InChI Key
- VOBKIGDBPMWSFZ-UHFFFAOYSA-N
- Formula
- C20H22O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)OCCCc2ccc
cc2)c1 - Molecular Weight1
- 326.39
- 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° | -135.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.64 | kJ/mol | Joback Calculated Property |
| log10WS | -5.25 | Crippen Calculated Property | |
| logPoct/wat | 4.043 | Crippen Calculated Property | |
| McVol | 260.020 | ml/mol | McGowan Calculated Property |
| Pc | 1737.56 | kPa | Joback Calculated Property |
| Inp | [2692.00; 2692.00] |
|
|
| Inp | 2692.00 | NIST | |
| Inp | 2692.00 | NIST | |
| Tboil | 867.92 | K | Joback Calculated Property |
| Tc | 1091.70 | K | Joback Calculated Property |
| Tfus | 524.84 | K | Joback Calculated Property |
| Vc | 0.988 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [781.49; 848.25] | J/mol×K | [867.92; 1091.70] |
|
| Cp,gas | 781.49 | J/mol×K | 867.92 | Joback Calculated Property |
| Cp,gas | 795.69 | J/mol×K | 905.22 | Joback Calculated Property |
| Cp,gas | 808.60 | J/mol×K | 942.51 | Joback Calculated Property |
| Cp,gas | 820.28 | J/mol×K | 979.81 | Joback Calculated Property |
| Cp,gas | 830.75 | J/mol×K | 1017.10 | Joback Calculated Property |
| Cp,gas | 840.06 | J/mol×K | 1054.40 | Joback Calculated Property |
| Cp,gas | 848.25 | J/mol×K | 1091.70 | Joback Calculated Property |
| η | [0.0000561; 0.0005161] | Pa×s | [524.84; 867.92] |
|
| η | 0.0005161 | Pa×s | 524.84 | Joback Calculated Property |
| η | 0.0002974 | Pa×s | 582.02 | Joback Calculated Property |
| η | 0.0001891 | Pa×s | 639.20 | Joback Calculated Property |
| η | 0.0001295 | Pa×s | 696.38 | Joback Calculated Property |
| η | 0.0000939 | Pa×s | 753.56 | Joback Calculated Property |
| η | 0.0000713 | Pa×s | 810.74 | Joback Calculated Property |
| η | 0.0000561 | Pa×s | 867.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-phenylpropyl propyl ester.
Sources
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