- InChI
- InChI=1S/C18H18O4/c1-13(2)12-21-17(19)14-7-6-8-15(11-14)18(20)22-16-9-4-3-5-10-16/h3-11,13H,12H2,1-2H3
- InChI Key
- UAVWUYDEXWAJFS-UHFFFAOYSA-N
- Formula
- C18H18O4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)Oc2ccc
cc2)c1 - Molecular Weight1
- 298.33
- 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° | -154.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -448.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.80 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 3.719 | Crippen Calculated Property | |
| McVol | 231.840 | ml/mol | McGowan Calculated Property |
| Pc | 2068.00 | kPa | Joback Calculated Property |
| Inp | [2416.00; 2416.00] |
|
|
| Inp | 2416.00 | NIST | |
| Inp | 2416.00 | NIST | |
| Tboil | 821.72 | K | Joback Calculated Property |
| Tc | 1053.93 | K | Joback Calculated Property |
| Tfus | 487.30 | K | Joback Calculated Property |
| Vc | 0.870 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [668.77; 734.93] | J/mol×K | [821.72; 1053.93] |
|
| Cp,gas | 668.77 | J/mol×K | 821.72 | Joback Calculated Property |
| Cp,gas | 682.93 | J/mol×K | 860.42 | Joback Calculated Property |
| Cp,gas | 695.79 | J/mol×K | 899.12 | Joback Calculated Property |
| Cp,gas | 707.38 | J/mol×K | 937.82 | Joback Calculated Property |
| Cp,gas | 717.75 | J/mol×K | 976.53 | Joback Calculated Property |
| Cp,gas | 726.92 | J/mol×K | 1015.23 | Joback Calculated Property |
| Cp,gas | 734.93 | J/mol×K | 1053.93 | Joback Calculated Property |
| η | [0.0000673; 0.0006951] | Pa×s | [487.30; 821.72] |
|
| η | 0.0006951 | Pa×s | 487.30 | Joback Calculated Property |
| η | 0.0003858 | Pa×s | 543.04 | Joback Calculated Property |
| η | 0.0002389 | Pa×s | 598.77 | Joback Calculated Property |
| η | 0.0001605 | Pa×s | 654.51 | Joback Calculated Property |
| η | 0.0001148 | Pa×s | 710.25 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 765.98 | Joback Calculated Property |
| η | 0.0000673 | Pa×s | 821.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl phenyl ester.
Sources
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