- InChI
- InChI=1S/C22H18O4/c1-15-6-3-10-19(12-15)25-21(23)17-8-5-9-18(14-17)22(24)26-20-11-4-7-16(2)13-20/h3-14H,1-2H3
- InChI Key
- PTZZYDVLRWPZNJ-UHFFFAOYSA-N
- Formula
- C22H18O4
- SMILES
-
Cc1cccc(OC(=O)c2cccc(C(=O)Oc3c
ccc(C)c3)c2)c1 - Molecular Weight1
- 346.38
- 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° | -25.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.69 | kJ/mol | Joback Calculated Property |
| log10WS | -6.60 | Crippen Calculated Property | |
| logPoct/wat | 4.742 | Crippen Calculated Property | |
| McVol | 264.440 | ml/mol | McGowan Calculated Property |
| Pc | 1906.90 | kPa | Joback Calculated Property |
| Inp | [3079.00; 3079.00] |
|
|
| Inp | 3079.00 | NIST | |
| Inp | 3079.00 | NIST | |
| Tboil | 950.32 | K | Joback Calculated Property |
| Tc | 1201.35 | K | Joback Calculated Property |
| Tfus | 598.84 | K | Joback Calculated Property |
| Vc | 0.992 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [790.76; 840.17] | J/mol×K | [950.32; 1201.35] |
|
| Cp,gas | 790.76 | J/mol×K | 950.32 | Joback Calculated Property |
| Cp,gas | 802.62 | J/mol×K | 992.16 | Joback Calculated Property |
| Cp,gas | 812.95 | J/mol×K | 1034.00 | Joback Calculated Property |
| Cp,gas | 821.82 | J/mol×K | 1075.83 | Joback Calculated Property |
| Cp,gas | 829.28 | J/mol×K | 1117.67 | Joback Calculated Property |
| Cp,gas | 835.38 | J/mol×K | 1159.51 | Joback Calculated Property |
| Cp,gas | 840.17 | J/mol×K | 1201.35 | Joback Calculated Property |
| η | [0.0000458; 0.0003041] | Pa×s | [598.84; 950.32] |
|
| η | 0.0003041 | Pa×s | 598.84 | Joback Calculated Property |
| η | 0.0001927 | Pa×s | 657.42 | Joback Calculated Property |
| η | 0.0001316 | Pa×s | 716.00 | Joback Calculated Property |
| η | 0.0000952 | Pa×s | 774.58 | Joback Calculated Property |
| η | 0.0000721 | Pa×s | 833.16 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 891.74 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 950.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(3-methylphenyl) ester.
Sources
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