- InChI
- InChI=1S/C22H20O4/c1-15(2)14-25-21(23)17-9-5-10-18(13-17)22(24)26-20-12-6-8-16-7-3-4-11-19(16)20/h3-13,15H,14H2,1-2H3
- InChI Key
- PGDHSPBIHGLBAG-UHFFFAOYSA-N
- Formula
- C22H20O4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)Oc2ccc
c3ccccc23)c1 - Molecular Weight1
- 348.39
- 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° | -23.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.01 | kJ/mol | Joback Calculated Property |
| log10WS | -6.62 | Crippen Calculated Property | |
| logPoct/wat | 4.872 | Crippen Calculated Property | |
| McVol | 268.740 | ml/mol | McGowan Calculated Property |
| Pc | 1806.16 | kPa | Joback Calculated Property |
| Inp | [3026.00; 3026.00] |
|
|
| Inp | 3026.00 | NIST | |
| Inp | 3026.00 | NIST | |
| Tboil | 937.20 | K | Joback Calculated Property |
| Tc | 1178.88 | K | Joback Calculated Property |
| Tfus | 577.60 | K | Joback Calculated Property |
| Vc | 1.016 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [816.45; 876.79] | J/mol×K | [937.20; 1178.88] |
|
| Cp,gas | 816.45 | J/mol×K | 937.20 | Joback Calculated Property |
| Cp,gas | 829.33 | J/mol×K | 977.48 | Joback Calculated Property |
| Cp,gas | 840.98 | J/mol×K | 1017.76 | Joback Calculated Property |
| Cp,gas | 851.47 | J/mol×K | 1058.04 | Joback Calculated Property |
| Cp,gas | 860.88 | J/mol×K | 1098.32 | Joback Calculated Property |
| Cp,gas | 869.30 | J/mol×K | 1138.60 | Joback Calculated Property |
| Cp,gas | 876.79 | J/mol×K | 1178.88 | Joback Calculated Property |
| η | [0.0000811; 0.0005287] | Pa×s | [577.60; 937.20] |
|
| η | 0.0005287 | Pa×s | 577.60 | Joback Calculated Property |
| η | 0.0003340 | Pa×s | 637.53 | Joback Calculated Property |
| η | 0.0002283 | Pa×s | 697.47 | Joback Calculated Property |
| η | 0.0001657 | Pa×s | 757.40 | Joback Calculated Property |
| η | 0.0001261 | Pa×s | 817.33 | Joback Calculated Property |
| η | 0.0000996 | Pa×s | 877.27 | Joback Calculated Property |
| η | 0.0000811 | Pa×s | 937.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl 1-naphthyl ester.
Sources
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