- InChI
- InChI=1S/C16H19ClO5/c1-2-3-9-21-15(19)5-4-6-16(20)22-14-8-7-13(17)10-12(14)11-18/h7-8,10-11H,2-6,9H2,1H3
- InChI Key
- NBAOXRVXXDQQFD-UHFFFAOYSA-N
- Formula
- C16H19ClO5
- SMILES
-
CCCCOC(=O)CCCC(=O)Oc1ccc(Cl)cc
1C=O - Molecular Weight1
- 326.77
- Other Names
-
- Glutaric acid, 2-acetyl-4-chlorophenyl butyl ester
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8960 | Relay (1.0) Calculated Property | |
| ΔfG° | -402.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -877.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.571 | Crippen Calculated Property | |
| McVol | 241.230 | ml/mol | McGowan Calculated Property |
| Pc | 1851.52 | kPa | Joback Calculated Property |
| Inp | 2441.00 | NIST | |
| Tboil | 632.99 | K | Relay (1.0) Calculated Property |
| Tc | 857.69 | K | Relay (1.0) Calculated Property |
| Tfus | 287.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.882 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.21; 745.05] | J/mol×K | [840.79; 1050.94] | 
|
| Cp,gas | 687.21 | J/mol×K | 840.79 | Joback Calculated Property |
| Cp,gas | 699.32 | J/mol×K | 875.82 | Joback Calculated Property |
| Cp,gas | 710.44 | J/mol×K | 910.84 | Joback Calculated Property |
| Cp,gas | 720.56 | J/mol×K | 945.87 | Joback Calculated Property |
| Cp,gas | 729.69 | J/mol×K | 980.89 | Joback Calculated Property |
| Cp,gas | 737.85 | J/mol×K | 1015.92 | Joback Calculated Property |
| Cp,gas | 745.05 | J/mol×K | 1050.94 | Joback Calculated Property |
| η | [0.0000908; 0.0006124] | Pa×s | [537.78; 840.79] |
|
| η | 0.0006124 | Pa×s | 537.78 | Joback Calculated Property |
| η | 0.0003887 | Pa×s | 588.28 | Joback Calculated Property |
| η | 0.0002650 | Pa×s | 638.78 | Joback Calculated Property |
| η | 0.0001912 | Pa×s | 689.28 | Joback Calculated Property |
| η | 0.0001442 | Pa×s | 739.79 | Joback Calculated Property |
| η | 0.0001127 | Pa×s | 790.29 | Joback Calculated Property |
| η | 0.0000908 | Pa×s | 840.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-formyl-4-chlorophenyl butyl ester.
Sources
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