- InChI
- InChI=1S/C16H22O4/c1-4-11-19-15(17)9-6-10-16(18)20-14-8-5-7-12(2)13(14)3/h5,7-8H,4,6,9-11H2,1-3H3
- InChI Key
- SROAFFBQZKRSMD-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
- CCCOC(=O)CCCC(=O)Oc1cccc(C)c1C
- Molecular Weight1
- 278.34
- 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° | -290.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -649.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.11 | Crippen Calculated Property | |
| logPoct/wat | 3.332 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 1793.94 | kPa | Joback Calculated Property |
| Inp | [2123.00; 2123.00] |
|
|
| Inp | 2123.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Tboil | 754.70 | K | Joback Calculated Property |
| Tc | 957.28 | K | Joback Calculated Property |
| Tfus | 465.86 | K | Joback Calculated Property |
| Vc | 0.872 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.65; 723.52] | J/mol×K | [754.70; 957.28] |
|
| Cp,gas | 647.65 | J/mol×K | 754.70 | Joback Calculated Property |
| Cp,gas | 662.66 | J/mol×K | 788.46 | Joback Calculated Property |
| Cp,gas | 676.72 | J/mol×K | 822.23 | Joback Calculated Property |
| Cp,gas | 689.83 | J/mol×K | 855.99 | Joback Calculated Property |
| Cp,gas | 702.00 | J/mol×K | 889.75 | Joback Calculated Property |
| Cp,gas | 713.22 | J/mol×K | 923.52 | Joback Calculated Property |
| Cp,gas | 723.52 | J/mol×K | 957.28 | Joback Calculated Property |
| η | [0.0000937; 0.0007216] | Pa×s | [465.86; 754.70] |
|
| η | 0.0007216 | Pa×s | 465.86 | Joback Calculated Property |
| η | 0.0004379 | Pa×s | 514.00 | Joback Calculated Property |
| η | 0.0002895 | Pa×s | 562.14 | Joback Calculated Property |
| η | 0.0002043 | Pa×s | 610.28 | Joback Calculated Property |
| η | 0.0001517 | Pa×s | 658.42 | Joback Calculated Property |
| η | 0.0001173 | Pa×s | 706.56 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 754.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,3-dimethylphenyl propyl ester.
Sources
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