- InChI
- InChI=1S/C13H15ClO3/c1-2-10-5-3-6-11(9-10)17-13(16)8-4-7-12(14)15/h3,5-6,9H,2,4,7-8H2,1H3
- InChI Key
- BQSKDKVGTCFPBN-UHFFFAOYSA-N
- Formula
- C13H15ClO3
- SMILES
- CCc1cccc(OC(=O)CCCC(=O)Cl)c1
- Molecular Weight1
- 254.71
- 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° | -213.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -459.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.76 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 3.090 | Crippen Calculated Property | |
| McVol | 191.520 | ml/mol | McGowan Calculated Property |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| Inp | 1936.00 | NIST | |
| Tboil | 696.09 | K | Joback Calculated Property |
| Tc | 910.19 | K | Joback Calculated Property |
| Tfus | 427.22 | K | Joback Calculated Property |
| Vc | 0.735 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.63; 553.92] | J/mol×K | [696.09; 910.19] | 
|
| Cp,gas | 487.63 | J/mol×K | 696.09 | Joback Calculated Property |
| Cp,gas | 500.80 | J/mol×K | 731.77 | Joback Calculated Property |
| Cp,gas | 513.08 | J/mol×K | 767.46 | Joback Calculated Property |
| Cp,gas | 524.52 | J/mol×K | 803.14 | Joback Calculated Property |
| Cp,gas | 535.12 | J/mol×K | 838.82 | Joback Calculated Property |
| Cp,gas | 544.91 | J/mol×K | 874.50 | Joback Calculated Property |
| Cp,gas | 553.92 | J/mol×K | 910.19 | Joback Calculated Property |
| η | [0.0001580; 0.0012666] | Pa×s | [427.22; 696.09] |
|
| η | 0.0012666 | Pa×s | 427.22 | Joback Calculated Property |
| η | 0.0007593 | Pa×s | 472.03 | Joback Calculated Property |
| η | 0.0004975 | Pa×s | 516.84 | Joback Calculated Property |
| η | 0.0003487 | Pa×s | 561.65 | Joback Calculated Property |
| η | 0.0002575 | Pa×s | 606.47 | Joback Calculated Property |
| η | 0.0001983 | Pa×s | 651.28 | Joback Calculated Property |
| η | 0.0001580 | Pa×s | 696.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monochloride, 3-ethylphenyl ester.
Sources
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