- InChI
- InChI=1S/C19H20O4/c1-2-12-22-18(20)16-9-6-10-17(14-16)19(21)23-13-11-15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3
- InChI Key
- UKDZKDHWOQMLRS-UHFFFAOYSA-N
- Formula
- C19H20O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)OCCc2cccc
c2)c1 - Molecular Weight1
- 312.36
- 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° | -143.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.41 | kJ/mol | Joback Calculated Property |
| log10WS | -4.83 | Crippen Calculated Property | |
| logPoct/wat | 3.653 | Crippen Calculated Property | |
| McVol | 245.930 | ml/mol | McGowan Calculated Property |
| Pc | 1885.44 | kPa | Joback Calculated Property |
| Inp | [2565.00; 2565.00] |
|
|
| Inp | 2565.00 | NIST | |
| Inp | 2565.00 | NIST | |
| Tboil | 845.04 | K | Joback Calculated Property |
| Tc | 1070.91 | K | Joback Calculated Property |
| Tfus | 513.57 | K | Joback Calculated Property |
| Vc | 0.931 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.43; 790.77] | J/mol×K | [845.04; 1070.91] |
|
| Cp,gas | 724.43 | J/mol×K | 845.04 | Joback Calculated Property |
| Cp,gas | 738.52 | J/mol×K | 882.69 | Joback Calculated Property |
| Cp,gas | 751.35 | J/mol×K | 920.33 | Joback Calculated Property |
| Cp,gas | 762.96 | J/mol×K | 957.98 | Joback Calculated Property |
| Cp,gas | 773.37 | J/mol×K | 995.62 | Joback Calculated Property |
| Cp,gas | 782.63 | J/mol×K | 1033.27 | Joback Calculated Property |
| Cp,gas | 790.77 | J/mol×K | 1070.91 | Joback Calculated Property |
| η | [0.0000643; 0.0005675] | Pa×s | [513.57; 845.04] |
|
| η | 0.0005675 | Pa×s | 513.57 | Joback Calculated Property |
| η | 0.0003309 | Pa×s | 568.81 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 624.06 | Joback Calculated Property |
| η | 0.0001464 | Pa×s | 679.30 | Joback Calculated Property |
| η | 0.0001068 | Pa×s | 734.55 | Joback Calculated Property |
| η | 0.0000814 | Pa×s | 789.79 | Joback Calculated Property |
| η | 0.0000643 | Pa×s | 845.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, phenylethyl propyl ester.
Sources
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