- InChI
- InChI=1S/C16H21ClO3/c1-3-16(4-2,14(17)18)15(19)20-12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3
- InChI Key
- AZTXEHHGYZXHJY-UHFFFAOYSA-N
- Formula
- C16H21ClO3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OCCCc1ccc
cc1 - 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° | -175.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.17 | Crippen Calculated Property | |
| logPoct/wat | 3.734 | Crippen Calculated Property | |
| McVol | 233.790 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Inp | 1971.00 | NIST | |
| Tboil | 756.52 | K | Joback Calculated Property |
| Tc | 971.17 | K | Joback Calculated Property |
| Tfus | 450.93 | K | Joback Calculated Property |
| Vc | 0.891 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.99; 724.99] | J/mol×K | [756.52; 971.17] | 
|
| Cp,gas | 650.99 | J/mol×K | 756.52 | Joback Calculated Property |
| Cp,gas | 665.79 | J/mol×K | 792.30 | Joback Calculated Property |
| Cp,gas | 679.53 | J/mol×K | 828.07 | Joback Calculated Property |
| Cp,gas | 692.26 | J/mol×K | 863.85 | Joback Calculated Property |
| Cp,gas | 704.04 | J/mol×K | 899.62 | Joback Calculated Property |
| Cp,gas | 714.93 | J/mol×K | 935.40 | Joback Calculated Property |
| Cp,gas | 724.99 | J/mol×K | 971.17 | Joback Calculated Property |
| η | [0.0000887; 0.0011669] | Pa×s | [450.93; 756.52] |
|
| η | 0.0011669 | Pa×s | 450.93 | Joback Calculated Property |
| η | 0.0006108 | Pa×s | 501.86 | Joback Calculated Property |
| η | 0.0003602 | Pa×s | 552.79 | Joback Calculated Property |
| η | 0.0002322 | Pa×s | 603.73 | Joback Calculated Property |
| η | 0.0001603 | Pa×s | 654.66 | Joback Calculated Property |
| η | 0.0001167 | Pa×s | 705.59 | Joback Calculated Property |
| η | 0.0000887 | Pa×s | 756.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 3-phenylpropyl ester.
Sources
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