- InChI
- InChI=1S/C20H21ClO4/c21-17-10-4-11-18(15-17)25-20(23)13-5-12-19(22)24-14-6-9-16-7-2-1-3-8-16/h1-4,7-8,10-11,15H,5-6,9,12-14H2
- InChI Key
- BEHDRXANRCVTKN-UHFFFAOYSA-N
- Formula
- C20H21ClO4
- SMILES
-
O=C(CCCC(=O)Oc1cccc(Cl)c1)OCCC
c1ccccc1 - Molecular Weight1
- 360.83
- 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° | -147.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.02 | kJ/mol | Joback Calculated Property |
| log10WS | -5.46 | Crippen Calculated Property | |
| logPoct/wat | 4.592 | Crippen Calculated Property | |
| McVol | 272.260 | ml/mol | McGowan Calculated Property |
| Pc | 1685.18 | kPa | Joback Calculated Property |
| Inp | [2817.00; 2817.00] |
|
|
| Inp | 2817.00 | NIST | |
| Inp | 2817.00 | NIST | |
| Tboil | 905.35 | K | Joback Calculated Property |
| Tc | 1132.67 | K | Joback Calculated Property |
| Tfus | 554.76 | K | Joback Calculated Property |
| Vc | 1.036 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [804.72; 863.47] | J/mol×K | [905.35; 1132.67] |
|
| Cp,gas | 804.72 | J/mol×K | 905.35 | Joback Calculated Property |
| Cp,gas | 817.53 | J/mol×K | 943.24 | Joback Calculated Property |
| Cp,gas | 829.07 | J/mol×K | 981.12 | Joback Calculated Property |
| Cp,gas | 839.40 | J/mol×K | 1019.01 | Joback Calculated Property |
| Cp,gas | 848.54 | J/mol×K | 1056.90 | Joback Calculated Property |
| Cp,gas | 856.55 | J/mol×K | 1094.79 | Joback Calculated Property |
| Cp,gas | 863.47 | J/mol×K | 1132.67 | Joback Calculated Property |
| η | [0.0000486; 0.0004278] | Pa×s | [554.76; 905.35] |
|
| η | 0.0004278 | Pa×s | 554.76 | Joback Calculated Property |
| η | 0.0002505 | Pa×s | 613.19 | Joback Calculated Property |
| η | 0.0001609 | Pa×s | 671.62 | Joback Calculated Property |
| η | 0.0001110 | Pa×s | 730.05 | Joback Calculated Property |
| η | 0.0000809 | Pa×s | 788.49 | Joback Calculated Property |
| η | 0.0000616 | Pa×s | 846.92 | Joback Calculated Property |
| η | 0.0000486 | Pa×s | 905.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-chlorophenyl 3-phenylpropyl ester.
Sources
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