- InChI
- InChI=1S/C16H22O5/c1-12(2)11-20-15(17)5-4-6-16(18)21-14-9-7-13(19-3)8-10-14/h7-10,12H,4-6,11H2,1-3H3
- InChI Key
- YFMBFOWRVMVFQM-UHFFFAOYSA-N
- Formula
- C16H22O5
- SMILES
-
COc1ccc(OC(=O)CCCC(=O)OCC(C)C)
cc1 - Molecular Weight1
- 294.35
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -891.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.970 | Crippen Calculated Property | |
| McVol | 233.290 | ml/mol | McGowan Calculated Property |
| Pc | 1683.79 | kPa | Joback Calculated Property |
| Inp | 2293.00 | NIST | |
| Tboil | 624.36 | K | Relay (1.0) Calculated Property |
| Tc | 811.85 | K | Relay (1.0) Calculated Property |
| Tfus | 315.92 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [665.92; 742.11] | J/mol×K | [735.76; 935.37] | 
|
| Cp,gas | 665.92 | J/mol×K | 735.76 | Joback Calculated Property |
| Cp,gas | 681.33 | J/mol×K | 769.03 | Joback Calculated Property |
| Cp,gas | 695.64 | J/mol×K | 802.30 | Joback Calculated Property |
| Cp,gas | 708.88 | J/mol×K | 835.56 | Joback Calculated Property |
| Cp,gas | 721.03 | J/mol×K | 868.83 | Joback Calculated Property |
| Cp,gas | 732.11 | J/mol×K | 902.10 | Joback Calculated Property |
| Cp,gas | 742.11 | J/mol×K | 935.37 | Joback Calculated Property |
| η | [0.0000521; 0.0011656] | Pa×s | [400.91; 735.76] |
|
| η | 0.0011656 | Pa×s | 400.91 | Joback Calculated Property |
| η | 0.0005059 | Pa×s | 456.72 | Joback Calculated Property |
| η | 0.0002633 | Pa×s | 512.53 | Joback Calculated Property |
| η | 0.0001558 | Pa×s | 568.34 | Joback Calculated Property |
| η | 0.0001013 | Pa×s | 624.14 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 679.95 | Joback Calculated Property |
| η | 0.0000521 | Pa×s | 735.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 4-methoxyphenyl ester.
Sources
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