- InChI
- InChI=1S/C19H19ClO4/c20-16-8-4-9-17(14-16)24-19(22)11-5-10-18(21)23-13-12-15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2
- InChI Key
- NLGBBVIIVWUUEM-UHFFFAOYSA-N
- Formula
- C19H19ClO4
- SMILES
-
O=C(CCCC(=O)Oc1cccc(Cl)c1)OCCc
1ccccc1 - Molecular Weight1
- 346.81
- 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° | -155.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 4.202 | Crippen Calculated Property | |
| McVol | 258.170 | ml/mol | McGowan Calculated Property |
| Pc | 1826.28 | kPa | Joback Calculated Property |
| Inp | [2658.00; 2658.00] |
|
|
| Inp | 2658.00 | NIST | |
| Inp | 2658.00 | NIST | |
| Tboil | 882.47 | K | Joback Calculated Property |
| Tc | 1111.50 | K | Joback Calculated Property |
| Tfus | 543.49 | K | Joback Calculated Property |
| Vc | 0.981 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [747.62; 805.92] | J/mol×K | [882.47; 1111.50] |
|
| Cp,gas | 747.62 | J/mol×K | 882.47 | Joback Calculated Property |
| Cp,gas | 760.32 | J/mol×K | 920.64 | Joback Calculated Property |
| Cp,gas | 771.77 | J/mol×K | 958.81 | Joback Calculated Property |
| Cp,gas | 782.02 | J/mol×K | 996.99 | Joback Calculated Property |
| Cp,gas | 791.10 | J/mol×K | 1035.16 | Joback Calculated Property |
| Cp,gas | 799.05 | J/mol×K | 1073.33 | Joback Calculated Property |
| Cp,gas | 805.92 | J/mol×K | 1111.50 | Joback Calculated Property |
| η | [0.0000560; 0.0004741] | Pa×s | [543.49; 882.47] |
|
| η | 0.0004741 | Pa×s | 543.49 | Joback Calculated Property |
| η | 0.0002808 | Pa×s | 599.99 | Joback Calculated Property |
| η | 0.0001820 | Pa×s | 656.48 | Joback Calculated Property |
| η | 0.0001264 | Pa×s | 712.98 | Joback Calculated Property |
| η | 0.0000926 | Pa×s | 769.48 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 825.97 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 882.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-chlorophenyl phenethyl ester.
Sources
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