- InChI
- InChI=1S/C16H18O6/c1-9(17)11(3)21-15(19)13-7-5-6-8-14(13)16(20)22-12(4)10(2)18/h5-8,11-12H,1-4H3
- InChI Key
- SPKUAVROPJEOQR-UHFFFAOYSA-N
- Formula
- C16H18O6
- SMILES
-
CC(=O)C(C)OC(=O)c1ccccc1C(=O)O
C(C)C(C)=O - Molecular Weight1
- 306.31
- Other Names
-
- 1,2-Benzenedicarboxylic acid, bis(3-oxobutan-2-yl) ester
- Bis(3-oxobutan-2-yl)-1,2-benzenedicarboxylate
- 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° | -543.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -873.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.18 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 1.955 | Crippen Calculated Property | |
| McVol | 230.560 | ml/mol | McGowan Calculated Property |
| Pc | 2058.62 | kPa | Joback Calculated Property |
| Inp | [2101.00; 2101.00] |
|
|
| Inp | 2101.00 | NIST | |
| Inp | 2101.00 | NIST | |
| Tboil | 856.58 | K | Joback Calculated Property |
| Tc | 1076.91 | K | Joback Calculated Property |
| Tfus | 523.20 | K | Joback Calculated Property |
| Vc | 0.872 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.45; 731.60] | J/mol×K | [856.58; 1076.91] |
|
| Cp,gas | 677.45 | J/mol×K | 856.58 | Joback Calculated Property |
| Cp,gas | 689.35 | J/mol×K | 893.30 | Joback Calculated Property |
| Cp,gas | 700.09 | J/mol×K | 930.02 | Joback Calculated Property |
| Cp,gas | 709.68 | J/mol×K | 966.75 | Joback Calculated Property |
| Cp,gas | 718.12 | J/mol×K | 1003.47 | Joback Calculated Property |
| Cp,gas | 725.42 | J/mol×K | 1040.19 | Joback Calculated Property |
| Cp,gas | 731.60 | J/mol×K | 1076.91 | Joback Calculated Property |
| η | [0.0000740; 0.0007442] | Pa×s | [523.20; 856.58] |
|
| η | 0.0007442 | Pa×s | 523.20 | Joback Calculated Property |
| η | 0.0004211 | Pa×s | 578.76 | Joback Calculated Property |
| η | 0.0002632 | Pa×s | 634.33 | Joback Calculated Property |
| η | 0.0001775 | Pa×s | 689.89 | Joback Calculated Property |
| η | 0.0001269 | Pa×s | 745.45 | Joback Calculated Property |
| η | 0.0000951 | Pa×s | 801.02 | Joback Calculated Property |
| η | 0.0000740 | Pa×s | 856.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bis(3-oxobutan-2-yl) phthalate.
Sources
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