- InChI
- InChI=1S/C18H19ClO3/c1-3-18(4-2,16(19)20)17(21)22-12-13-9-10-14-7-5-6-8-15(14)11-13/h5-11H,3-4,12H2,1-2H3
- InChI Key
- IOYZUTNBQPUOLE-UHFFFAOYSA-N
- Formula
- C18H19ClO3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OCc1ccc2c
cccc2c1 - Molecular Weight1
- 318.80
- 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° | -61.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -380.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.23 | kJ/mol | Joback Calculated Property |
| log10WS | -5.63 | Crippen Calculated Property | |
| logPoct/wat | 4.455 | Crippen Calculated Property | |
| McVol | 242.510 | ml/mol | McGowan Calculated Property |
| Pc | 1900.26 | kPa | Joback Calculated Property |
| Inp | 2352.00 | NIST | |
| Tboil | 826.24 | K | Joback Calculated Property |
| Tc | 1056.94 | K | Joback Calculated Property |
| Tfus | 518.69 | K | Joback Calculated Property |
| Vc | 0.925 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.93; 756.21] | J/mol×K | [826.24; 1056.94] | 
|
| Cp,gas | 687.93 | J/mol×K | 826.24 | Joback Calculated Property |
| Cp,gas | 701.50 | J/mol×K | 864.69 | Joback Calculated Property |
| Cp,gas | 714.06 | J/mol×K | 903.14 | Joback Calculated Property |
| Cp,gas | 725.71 | J/mol×K | 941.59 | Joback Calculated Property |
| Cp,gas | 736.55 | J/mol×K | 980.04 | Joback Calculated Property |
| Cp,gas | 746.69 | J/mol×K | 1018.49 | Joback Calculated Property |
| Cp,gas | 756.21 | J/mol×K | 1056.94 | Joback Calculated Property |
| η | [0.0001290; 0.0009058] | Pa×s | [518.69; 826.24] |
|
| η | 0.0009058 | Pa×s | 518.69 | Joback Calculated Property |
| η | 0.0005656 | Pa×s | 569.95 | Joback Calculated Property |
| η | 0.0003817 | Pa×s | 621.21 | Joback Calculated Property |
| η | 0.0002735 | Pa×s | 672.47 | Joback Calculated Property |
| η | 0.0002055 | Pa×s | 723.72 | Joback Calculated Property |
| η | 0.0001603 | Pa×s | 774.98 | Joback Calculated Property |
| η | 0.0001290 | Pa×s | 826.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 2-naphthylmethyl ester.
Sources
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