- InChI
- InChI=1S/C17H24O4/c1-13(2)11-20-16(18)8-5-9-17(19)21-12-15-7-4-6-14(3)10-15/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3
- InChI Key
- NYGBHXPKLNHSIA-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
-
Cc1cccc(COC(=O)CCCC(=O)OCC(C)C
)c1 - Molecular Weight1
- 292.37
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -780.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.97 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.408 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1579.71 | kPa | Joback Calculated Property |
| Tboil | 614.60 | K | Relay (1.0) Calculated Property |
| Tc | 805.54 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [693.17; 773.46] | J/mol×K | [736.22; 935.09] | 
|
| Cp,gas | 693.17 | J/mol×K | 736.22 | Joback Calculated Property |
| Cp,gas | 709.25 | J/mol×K | 769.36 | Joback Calculated Property |
| Cp,gas | 724.23 | J/mol×K | 802.51 | Joback Calculated Property |
| Cp,gas | 738.12 | J/mol×K | 835.65 | Joback Calculated Property |
| Cp,gas | 750.95 | J/mol×K | 868.80 | Joback Calculated Property |
| Cp,gas | 762.72 | J/mol×K | 901.94 | Joback Calculated Property |
| Cp,gas | 773.46 | J/mol×K | 935.09 | Joback Calculated Property |
| η | [0.0000599; 0.0015744] | Pa×s | [389.95; 736.22] |
|
| η | 0.0015744 | Pa×s | 389.95 | Joback Calculated Property |
| η | 0.0006426 | Pa×s | 447.66 | Joback Calculated Property |
| η | 0.0003218 | Pa×s | 505.37 | Joback Calculated Property |
| η | 0.0001857 | Pa×s | 563.09 | Joback Calculated Property |
| η | 0.0001187 | Pa×s | 620.80 | Joback Calculated Property |
| η | 0.0000819 | Pa×s | 678.51 | Joback Calculated Property |
| η | 0.0000599 | Pa×s | 736.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 3-methylbenzyl ester.
Sources
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