- InChI
- InChI=1S/C16H21ClO3/c1-5-16(6-2,14(17)18)15(19)20-13-10-8-7-9-12(13)11(3)4/h7-11H,5-6H2,1-4H3
- InChI Key
- NTKDZOOGHVEBRW-UHFFFAOYSA-N
- Formula
- C16H21ClO3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)Oc1ccccc1
C(C)C - Molecular Weight1
- 296.79
- 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° | -187.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -535.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.75 | Crippen Calculated Property | |
| logPoct/wat | 4.287 | Crippen Calculated Property | |
| McVol | 233.790 | ml/mol | McGowan Calculated Property |
| Pc | 1827.85 | kPa | Joback Calculated Property |
| Inp | [1827.00; 1827.00] |
|
|
| Inp | 1827.00 | NIST | |
| Inp | 1827.00 | NIST | |
| Tboil | 761.06 | K | Joback Calculated Property |
| Tc | 979.98 | K | Joback Calculated Property |
| Tfus | 448.45 | K | Joback Calculated Property |
| Vc | 0.885 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.56; 724.88] | J/mol×K | [761.06; 979.98] |
|
| Cp,gas | 650.56 | J/mol×K | 761.06 | Joback Calculated Property |
| Cp,gas | 665.49 | J/mol×K | 797.55 | Joback Calculated Property |
| Cp,gas | 679.33 | J/mol×K | 834.03 | Joback Calculated Property |
| Cp,gas | 692.14 | J/mol×K | 870.52 | Joback Calculated Property |
| Cp,gas | 703.96 | J/mol×K | 907.01 | Joback Calculated Property |
| Cp,gas | 714.86 | J/mol×K | 943.50 | Joback Calculated Property |
| Cp,gas | 724.88 | J/mol×K | 979.98 | Joback Calculated Property |
| η | [0.0000818; 0.0011272] | Pa×s | [448.45; 761.06] |
|
| η | 0.0011272 | Pa×s | 448.45 | Joback Calculated Property |
| η | 0.0005799 | Pa×s | 500.55 | Joback Calculated Property |
| η | 0.0003382 | Pa×s | 552.65 | Joback Calculated Property |
| η | 0.0002164 | Pa×s | 604.75 | Joback Calculated Property |
| η | 0.0001487 | Pa×s | 656.86 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 708.96 | Joback Calculated Property |
| η | 0.0000818 | Pa×s | 761.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 2-isopropylphenyl ester.
Sources
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