- InChI
- InChI=1S/C19H20O5/c1-3-11-23-18(20)15-5-4-6-16(12-15)19(21)24-13-14-7-9-17(22-2)10-8-14/h4-10,12H,3,11,13H2,1-2H3
- InChI Key
- PRZDDXRMVIFYQB-UHFFFAOYSA-N
- Formula
- C19H20O5
- SMILES
-
CCCOC(=O)c1cccc(C(=O)OCc2ccc(O
C)cc2)c1 - Molecular Weight1
- 328.36
- 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° | -258.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.49 | kJ/mol | Joback Calculated Property |
| log10WS | -5.02 | Crippen Calculated Property | |
| logPoct/wat | 3.619 | Crippen Calculated Property | |
| McVol | 251.800 | ml/mol | McGowan Calculated Property |
| Pc | 1834.11 | kPa | Joback Calculated Property |
| Inp | 2743.00 | NIST | |
| Tboil | 872.44 | K | Joback Calculated Property |
| Tc | 1097.71 | K | Joback Calculated Property |
| Tfus | 548.32 | K | Joback Calculated Property |
| Vc | 0.950 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [750.17; 810.15] | J/mol×K | [872.44; 1097.71] | 
|
| Cp,gas | 750.17 | J/mol×K | 872.44 | Joback Calculated Property |
| Cp,gas | 763.48 | J/mol×K | 909.98 | Joback Calculated Property |
| Cp,gas | 775.46 | J/mol×K | 947.53 | Joback Calculated Property |
| Cp,gas | 786.10 | J/mol×K | 985.07 | Joback Calculated Property |
| Cp,gas | 795.42 | J/mol×K | 1022.62 | Joback Calculated Property |
| Cp,gas | 803.43 | J/mol×K | 1060.16 | Joback Calculated Property |
| Cp,gas | 810.15 | J/mol×K | 1097.71 | Joback Calculated Property |
| η | [0.0000492; 0.0003565] | Pa×s | [548.32; 872.44] |
|
| η | 0.0003565 | Pa×s | 548.32 | Joback Calculated Property |
| η | 0.0002211 | Pa×s | 602.34 | Joback Calculated Property |
| η | 0.0001483 | Pa×s | 656.36 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 710.38 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 764.40 | Joback Calculated Property |
| η | 0.0000614 | Pa×s | 818.42 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 872.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-methoxybenzyl propyl ester.
Sources
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