- InChI
- InChI=1S/C16H19ClO5/c1-11(2)10-21-15(19)4-3-5-16(20)22-14-7-6-13(17)8-12(14)9-18/h6-9,11H,3-5,10H2,1-2H3
- InChI Key
- DRKFRKYSWLAMIM-UHFFFAOYSA-N
- Formula
- C16H19ClO5
- SMILES
-
CC(C)COC(=O)CCCC(=O)Oc1ccc(Cl)
cc1C=O - Molecular Weight1
- 326.77
- Other Names
-
- Glutaric acid, 2-acetyl-4-chlorophenyl isobutyl ester
- 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° | -404.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -756.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.84 | kJ/mol | Joback Calculated Property |
| log10WS | -4.26 | Crippen Calculated Property | |
| logPoct/wat | 3.427 | Crippen Calculated Property | |
| McVol | 241.230 | ml/mol | McGowan Calculated Property |
| Pc | 1864.33 | kPa | Joback Calculated Property |
| Inp | [2392.00; 2392.00] |
|
|
| Inp | 2392.00 | NIST | |
| Inp | 2392.00 | NIST | |
| Tboil | 840.35 | K | Joback Calculated Property |
| Tc | 1052.95 | K | Joback Calculated Property |
| Tfus | 522.78 | K | Joback Calculated Property |
| Vc | 0.931 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.79; 745.85] | J/mol×K | [840.35; 1052.95] |
|
| Cp,gas | 687.79 | J/mol×K | 840.35 | Joback Calculated Property |
| Cp,gas | 700.03 | J/mol×K | 875.78 | Joback Calculated Property |
| Cp,gas | 711.23 | J/mol×K | 911.22 | Joback Calculated Property |
| Cp,gas | 721.40 | J/mol×K | 946.65 | Joback Calculated Property |
| Cp,gas | 730.56 | J/mol×K | 982.08 | Joback Calculated Property |
| Cp,gas | 738.71 | J/mol×K | 1017.52 | Joback Calculated Property |
| Cp,gas | 745.85 | J/mol×K | 1052.95 | Joback Calculated Property |
| η | [0.0000832; 0.0006703] | Pa×s | [522.78; 840.35] |
|
| η | 0.0006703 | Pa×s | 522.78 | Joback Calculated Property |
| η | 0.0004035 | Pa×s | 575.71 | Joback Calculated Property |
| η | 0.0002646 | Pa×s | 628.64 | Joback Calculated Property |
| η | 0.0001852 | Pa×s | 681.56 | Joback Calculated Property |
| η | 0.0001365 | Pa×s | 734.49 | Joback Calculated Property |
| η | 0.0001048 | Pa×s | 787.42 | Joback Calculated Property |
| η | 0.0000832 | Pa×s | 840.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-formyl-4-chlorophenyl isobutyl ester.
Sources
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