- InChI
- InChI=1S/C15H17ClO4/c1-4-15(5-2,13(16)18)14(19)20-12-9-7-6-8-11(12)10(3)17/h6-9H,4-5H2,1-3H3
- InChI Key
- FBKCCGFEIXILLV-UHFFFAOYSA-N
- Formula
- C15H17ClO4
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)Oc1ccccc1
C(C)=O - Molecular Weight1
- 296.75
- 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° | -322.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.66 | kJ/mol | Joback Calculated Property |
| log10WS | -4.23 | Crippen Calculated Property | |
| logPoct/wat | 3.366 | Crippen Calculated Property | |
| McVol | 221.270 | ml/mol | McGowan Calculated Property |
| Pc | 2088.84 | kPa | Joback Calculated Property |
| Inp | 1969.00 | NIST | |
| Tboil | 792.49 | K | Joback Calculated Property |
| Tc | 1016.59 | K | Joback Calculated Property |
| Tfus | 502.11 | K | Joback Calculated Property |
| Vc | 0.842 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.02; 670.39] | J/mol×K | [792.49; 1016.59] | 
|
| Cp,gas | 609.02 | J/mol×K | 792.49 | Joback Calculated Property |
| Cp,gas | 621.63 | J/mol×K | 829.84 | Joback Calculated Property |
| Cp,gas | 633.21 | J/mol×K | 867.19 | Joback Calculated Property |
| Cp,gas | 643.83 | J/mol×K | 904.54 | Joback Calculated Property |
| Cp,gas | 653.53 | J/mol×K | 941.89 | Joback Calculated Property |
| Cp,gas | 662.37 | J/mol×K | 979.24 | Joback Calculated Property |
| Cp,gas | 670.39 | J/mol×K | 1016.59 | Joback Calculated Property |
| η | [0.0000977; 0.0008578] | Pa×s | [502.11; 792.49] |
|
| η | 0.0008578 | Pa×s | 502.11 | Joback Calculated Property |
| η | 0.0005093 | Pa×s | 550.51 | Joback Calculated Property |
| η | 0.0003290 | Pa×s | 598.90 | Joback Calculated Property |
| η | 0.0002269 | Pa×s | 647.30 | Joback Calculated Property |
| η | 0.0001647 | Pa×s | 695.70 | Joback Calculated Property |
| η | 0.0001247 | Pa×s | 744.09 | Joback Calculated Property |
| η | 0.0000977 | Pa×s | 792.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 2-acethylphenyl ester.
Sources
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