- InChI
- InChI=1S/C24H18O6/c25-21(17-8-3-1-4-9-17)15-29-23(27)19-12-7-13-20(14-19)24(28)30-16-22(26)18-10-5-2-6-11-18/h1-14H,15-16H2
- InChI Key
- NWTODHNVXLOHFQ-UHFFFAOYSA-N
- Formula
- C24H18O6
- SMILES
-
O=C(COC(=O)c1cccc(C(=O)OCC(=O)
c2ccccc2)c1)c1ccccc1 - Molecular Weight1
- 402.40
- CAS
- 116345-97-2
- 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° | -246.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.31 | kJ/mol | Joback Calculated Property |
| log10WS | -5.74 | Crippen Calculated Property | |
| logPoct/wat | 3.766 | Crippen Calculated Property | |
| McVol | 295.760 | ml/mol | McGowan Calculated Property |
| Pc | 1848.33 | kPa | Joback Calculated Property |
| Tboil | 1093.86 | K | Joback Calculated Property |
| Tc | 1351.75 | K | Joback Calculated Property |
| Tfus | 696.20 | K | Joback Calculated Property |
| Vc | 1.115 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [913.01; 935.41] | J/mol×K | [1093.86; 1351.75] | 
|
| Cp,gas | 913.01 | J/mol×K | 1093.86 | Joback Calculated Property |
| Cp,gas | 920.13 | J/mol×K | 1136.84 | Joback Calculated Property |
| Cp,gas | 925.77 | J/mol×K | 1179.82 | Joback Calculated Property |
| Cp,gas | 930.04 | J/mol×K | 1222.80 | Joback Calculated Property |
| Cp,gas | 933.01 | J/mol×K | 1265.78 | Joback Calculated Property |
| Cp,gas | 934.77 | J/mol×K | 1308.77 | Joback Calculated Property |
| Cp,gas | 935.41 | J/mol×K | 1351.75 | Joback Calculated Property |
| η | [0.0000293; 0.0002189] | Pa×s | [696.20; 1093.86] |
|
| η | 0.0002189 | Pa×s | 696.20 | Joback Calculated Property |
| η | 0.0001354 | Pa×s | 762.48 | Joback Calculated Property |
| η | 0.0000904 | Pa×s | 828.75 | Joback Calculated Property |
| η | 0.0000641 | Pa×s | 895.03 | Joback Calculated Property |
| η | 0.0000477 | Pa×s | 961.31 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 1027.58 | Joback Calculated Property |
| η | 0.0000293 | Pa×s | 1093.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diphenacyl isophthalate.
Sources
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