- InChI
- InChI=1S/C16H21ClO3/c1-4-13(12-10-8-7-9-11-12)20-15(19)16(5-2,6-3)14(17)18/h7-11,13H,4-6H2,1-3H3
- InChI Key
- ZXWZQVWUEBQBKK-UHFFFAOYSA-N
- Formula
- C16H21ClO3
- SMILES
-
CCC(OC(=O)C(CC)(CC)C(=O)Cl)c1c
cccc1 - 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° | -178.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.63 | Crippen Calculated Property | |
| logPoct/wat | 4.253 | Crippen Calculated Property | |
| McVol | 233.790 | ml/mol | McGowan Calculated Property |
| Pc | 1851.52 | kPa | Joback Calculated Property |
| Inp | [1813.00; 1813.00] |
|
|
| Inp | 1813.00 | NIST | |
| Inp | 1813.00 | NIST | |
| Tboil | 756.08 | K | Joback Calculated Property |
| Tc | 974.23 | K | Joback Calculated Property |
| Tfus | 435.93 | K | Joback Calculated Property |
| Vc | 0.885 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [651.55; 726.40] | J/mol×K | [756.08; 974.23] |
|
| Cp,gas | 651.55 | J/mol×K | 756.08 | Joback Calculated Property |
| Cp,gas | 666.60 | J/mol×K | 792.44 | Joback Calculated Property |
| Cp,gas | 680.54 | J/mol×K | 828.80 | Joback Calculated Property |
| Cp,gas | 693.42 | J/mol×K | 865.15 | Joback Calculated Property |
| Cp,gas | 705.32 | J/mol×K | 901.51 | Joback Calculated Property |
| Cp,gas | 716.29 | J/mol×K | 937.87 | Joback Calculated Property |
| Cp,gas | 726.40 | J/mol×K | 974.23 | Joback Calculated Property |
| η | [0.0000817; 0.0013863] | Pa×s | [435.93; 756.08] |
|
| η | 0.0013863 | Pa×s | 435.93 | Joback Calculated Property |
| η | 0.0006687 | Pa×s | 489.29 | Joback Calculated Property |
| η | 0.0003723 | Pa×s | 542.65 | Joback Calculated Property |
| η | 0.0002301 | Pa×s | 596.01 | Joback Calculated Property |
| η | 0.0001540 | Pa×s | 649.36 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 702.72 | Joback Calculated Property |
| η | 0.0000817 | Pa×s | 756.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 1-phenylpropyl ester.
Sources
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