- InChI
- InChI=1S/C19H20O5/c1-13(2)12-23-18(20)14-7-9-15(10-8-14)19(21)24-17-6-4-5-16(11-17)22-3/h4-11,13H,12H2,1-3H3
- InChI Key
- ICEFDRJPOHXXOD-UHFFFAOYSA-N
- Formula
- C19H20O5
- SMILES
-
COc1cccc(OC(=O)c2ccc(C(=O)OCC(
C)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).
- 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° | -260.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -612.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 3.727 | Crippen Calculated Property | |
| McVol | 251.800 | ml/mol | McGowan Calculated Property |
| Pc | 1846.75 | kPa | Joback Calculated Property |
| Tboil | 872.00 | K | Joback Calculated Property |
| Tc | 1100.23 | K | Joback Calculated Property |
| Tfus | 533.32 | K | Joback Calculated Property |
| Vc | 0.944 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [750.72; 810.84] | J/mol×K | [872.00; 1100.23] | 
|
| Cp,gas | 750.72 | J/mol×K | 872.00 | Joback Calculated Property |
| Cp,gas | 764.18 | J/mol×K | 910.04 | Joback Calculated Property |
| Cp,gas | 776.25 | J/mol×K | 948.08 | Joback Calculated Property |
| Cp,gas | 786.94 | J/mol×K | 986.11 | Joback Calculated Property |
| Cp,gas | 796.26 | J/mol×K | 1024.15 | Joback Calculated Property |
| Cp,gas | 804.23 | J/mol×K | 1062.19 | Joback Calculated Property |
| Cp,gas | 810.84 | J/mol×K | 1100.23 | Joback Calculated Property |
| η | [0.0000450; 0.0003889] | Pa×s | [533.32; 872.00] |
|
| η | 0.0003889 | Pa×s | 533.32 | Joback Calculated Property |
| η | 0.0002286 | Pa×s | 589.77 | Joback Calculated Property |
| η | 0.0001475 | Pa×s | 646.21 | Joback Calculated Property |
| η | 0.0001021 | Pa×s | 702.66 | Joback Calculated Property |
| η | 0.0000746 | Pa×s | 759.11 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 815.55 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 872.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, isobutyl 3-methoxyphenyl ester.
Sources
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