- InChI
- InChI=1S/C16H21ClO4/c1-5-16(6-2,14(17)18)15(19)21-13-10-8-7-9-12(13)20-11(3)4/h7-11H,5-6H2,1-4H3
- InChI Key
- ASUNEVXLSQBBSM-UHFFFAOYSA-N
- Formula
- C16H21ClO4
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)Oc1ccccc1
OC(C)C - Molecular Weight1
- 312.79
- 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° | -292.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.16 | kJ/mol | Joback Calculated Property |
| log10WS | -4.63 | Crippen Calculated Property | |
| logPoct/wat | 3.951 | Crippen Calculated Property | |
| McVol | 239.660 | ml/mol | McGowan Calculated Property |
| Pc | 1801.56 | kPa | Joback Calculated Property |
| Inp | 1938.00 | NIST | |
| Tboil | 783.48 | K | Joback Calculated Property |
| Tc | 1000.54 | K | Joback Calculated Property |
| Tfus | 470.68 | K | Joback Calculated Property |
| Vc | 0.903 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.63; 748.66] | J/mol×K | [783.48; 1000.54] | 
|
| Cp,gas | 677.63 | J/mol×K | 783.48 | Joback Calculated Property |
| Cp,gas | 692.10 | J/mol×K | 819.66 | Joback Calculated Property |
| Cp,gas | 705.47 | J/mol×K | 855.83 | Joback Calculated Property |
| Cp,gas | 717.77 | J/mol×K | 892.01 | Joback Calculated Property |
| Cp,gas | 729.04 | J/mol×K | 928.18 | Joback Calculated Property |
| Cp,gas | 739.33 | J/mol×K | 964.36 | Joback Calculated Property |
| Cp,gas | 748.66 | J/mol×K | 1000.54 | Joback Calculated Property |
| η | [0.0000615; 0.0007742] | Pa×s | [470.68; 783.48] |
|
| η | 0.0007742 | Pa×s | 470.68 | Joback Calculated Property |
| η | 0.0004113 | Pa×s | 522.81 | Joback Calculated Property |
| η | 0.0002451 | Pa×s | 574.95 | Joback Calculated Property |
| η | 0.0001592 | Pa×s | 627.08 | Joback Calculated Property |
| η | 0.0001104 | Pa×s | 679.21 | Joback Calculated Property |
| η | 0.0000807 | Pa×s | 731.35 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 783.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 2-isopropoxyphenyl ester.
Sources
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