- InChI
- InChI=1S/C15H19ClO3/c1-4-15(5-2,13(16)17)14(18)19-10-12-8-6-7-11(3)9-12/h6-9H,4-5,10H2,1-3H3
- InChI Key
- OBGBKKJGWIPFIC-UHFFFAOYSA-N
- Formula
- C15H19ClO3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OCc1cccc(
C)c1 - Molecular Weight1
- 282.76
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6238 | Relay (1.0) Calculated Property | |
| ΔfG° | -270.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -537.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.610 | Crippen Calculated Property | |
| McVol | 219.700 | ml/mol | McGowan Calculated Property |
| Pc | 1903.58 | kPa | Joback Calculated Property |
| Inp | [1830.00; 1830.00] |
|
|
| Inp | 1830.00 | NIST | |
| Inp | 1830.00 | NIST | |
| Tboil | 575.86 | K | Relay (1.0) Calculated Property |
| Tc | 806.40 | K | Relay (1.0) Calculated Property |
| Tfus | 296.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.762 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [591.31; 663.68] | J/mol×K | [720.75; 937.34] |
|
| Cp,gas | 591.31 | J/mol×K | 720.75 | Joback Calculated Property |
| Cp,gas | 605.94 | J/mol×K | 756.85 | Joback Calculated Property |
| Cp,gas | 619.48 | J/mol×K | 792.95 | Joback Calculated Property |
| Cp,gas | 631.96 | J/mol×K | 829.04 | Joback Calculated Property |
| Cp,gas | 643.46 | J/mol×K | 865.14 | Joback Calculated Property |
| Cp,gas | 654.01 | J/mol×K | 901.24 | Joback Calculated Property |
| Cp,gas | 663.68 | J/mol×K | 937.34 | Joback Calculated Property |
| η | [0.0000915; 0.0013595] | Pa×s | [422.35; 720.75] |
|
| η | 0.0013595 | Pa×s | 422.35 | Joback Calculated Property |
| η | 0.0006842 | Pa×s | 472.08 | Joback Calculated Property |
| η | 0.0003925 | Pa×s | 521.82 | Joback Calculated Property |
| η | 0.0002480 | Pa×s | 571.55 | Joback Calculated Property |
| η | 0.0001687 | Pa×s | 621.28 | Joback Calculated Property |
| η | 0.0001215 | Pa×s | 671.02 | Joback Calculated Property |
| η | 0.0000915 | Pa×s | 720.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 3-methylbenzyl ester.
Sources
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