- InChI
- InChI=1S/C21H17ClO4/c22-16-8-4-9-17(14-16)25-20(23)12-5-13-21(24)26-19-11-3-7-15-6-1-2-10-18(15)19/h1-4,6-11,14H,5,12-13H2
- InChI Key
- MQRSXQUBJXHQQJ-UHFFFAOYSA-N
- Formula
- C21H17ClO4
- SMILES
-
O=C(CCCC(=O)Oc1cccc2ccccc12)Oc
1cccc(Cl)c1 - Molecular Weight1
- 368.81
- 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° | -41.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -340.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.55 | kJ/mol | Joback Calculated Property |
| log10WS | -6.66 | Crippen Calculated Property | |
| logPoct/wat | 5.174 | Crippen Calculated Property | |
| McVol | 266.890 | ml/mol | McGowan Calculated Property |
| Pc | 1887.08 | kPa | Joback Calculated Property |
| Inp | [3137.00; 3137.00] |
|
|
| Inp | 3137.00 | NIST | |
| Inp | 3137.00 | NIST | |
| Tboil | 952.19 | K | Joback Calculated Property |
| Tc | 1196.11 | K | Joback Calculated Property |
| Tfus | 611.25 | K | Joback Calculated Property |
| Vc | 1.014 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [778.89; 831.74] | J/mol×K | [952.19; 1196.11] |
|
| Cp,gas | 778.89 | J/mol×K | 952.19 | Joback Calculated Property |
| Cp,gas | 790.25 | J/mol×K | 992.84 | Joback Calculated Property |
| Cp,gas | 800.48 | J/mol×K | 1033.50 | Joback Calculated Property |
| Cp,gas | 809.67 | J/mol×K | 1074.15 | Joback Calculated Property |
| Cp,gas | 817.88 | J/mol×K | 1114.81 | Joback Calculated Property |
| Cp,gas | 825.21 | J/mol×K | 1155.46 | Joback Calculated Property |
| Cp,gas | 831.74 | J/mol×K | 1196.11 | Joback Calculated Property |
| η | [0.0000887; 0.0004743] | Pa×s | [611.25; 952.19] |
|
| η | 0.0004743 | Pa×s | 611.25 | Joback Calculated Property |
| η | 0.0003184 | Pa×s | 668.07 | Joback Calculated Property |
| η | 0.0002276 | Pa×s | 724.90 | Joback Calculated Property |
| η | 0.0001708 | Pa×s | 781.72 | Joback Calculated Property |
| η | 0.0001333 | Pa×s | 838.54 | Joback Calculated Property |
| η | 0.0001073 | Pa×s | 895.37 | Joback Calculated Property |
| η | 0.0000887 | Pa×s | 952.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-chlorophenyl 1-naphthyl ester.
Sources
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