- InChI
- InChI=1S/C17H22O5/c1-12(2)11-21-16(19)5-4-6-17(20)22-15-9-7-14(8-10-15)13(3)18/h7-10,12H,4-6,11H2,1-3H3
- InChI Key
- XXODERYIRAVZRM-UHFFFAOYSA-N
- Formula
- C17H22O5
- SMILES
-
CC(=O)c1ccc(OC(=O)CCCC(=O)OCC(
C)C)cc1 - Molecular Weight1
- 306.35
- 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° | -404.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -776.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.04 | kJ/mol | Joback Calculated Property |
| log10WS | -4.00 | Crippen Calculated Property | |
| logPoct/wat | 3.164 | Crippen Calculated Property | |
| McVol | 243.080 | ml/mol | McGowan Calculated Property |
| Pc | 1778.84 | kPa | Joback Calculated Property |
| Inp | 2407.00 | NIST | |
| Tboil | 826.03 | K | Joback Calculated Property |
| Tc | 1035.87 | K | Joback Calculated Property |
| Tfus | 499.54 | K | Joback Calculated Property |
| Vc | 0.927 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [721.16; 788.14] | J/mol×K | [826.03; 1035.87] | 
|
| Cp,gas | 721.16 | J/mol×K | 826.03 | Joback Calculated Property |
| Cp,gas | 735.03 | J/mol×K | 861.00 | Joback Calculated Property |
| Cp,gas | 747.79 | J/mol×K | 895.98 | Joback Calculated Property |
| Cp,gas | 759.47 | J/mol×K | 930.95 | Joback Calculated Property |
| Cp,gas | 770.08 | J/mol×K | 965.92 | Joback Calculated Property |
| Cp,gas | 779.63 | J/mol×K | 1000.89 | Joback Calculated Property |
| Cp,gas | 788.14 | J/mol×K | 1035.87 | Joback Calculated Property |
| η | [0.0000732; 0.0007347] | Pa×s | [499.54; 826.03] |
|
| η | 0.0007347 | Pa×s | 499.54 | Joback Calculated Property |
| η | 0.0004142 | Pa×s | 553.96 | Joback Calculated Property |
| η | 0.0002588 | Pa×s | 608.37 | Joback Calculated Property |
| η | 0.0001746 | Pa×s | 662.78 | Joback Calculated Property |
| η | 0.0001251 | Pa×s | 717.20 | Joback Calculated Property |
| η | 0.0000939 | Pa×s | 771.62 | Joback Calculated Property |
| η | 0.0000732 | Pa×s | 826.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4-acetylphenyl isobutyl ester.
Sources
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