- InChI
- InChI=1S/C17H17ClO3/c1-3-17(4-2,15(18)19)16(20)21-14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3
- InChI Key
- ZMIIMTSBUKCSFR-UHFFFAOYSA-N
- Formula
- C17H17ClO3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)Oc1cccc2c
cccc12 - Molecular Weight1
- 304.77
- 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° | -70.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.00 | kJ/mol | Joback Calculated Property |
| log10WS | -5.37 | Crippen Calculated Property | |
| logPoct/wat | 4.317 | Crippen Calculated Property | |
| McVol | 228.420 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | 2213.00 | NIST | |
| Tboil | 803.36 | K | Joback Calculated Property |
| Tc | 1037.55 | K | Joback Calculated Property |
| Tfus | 507.42 | K | Joback Calculated Property |
| Vc | 0.870 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.87; 699.09] | J/mol×K | [803.36; 1037.55] | 
|
| Cp,gas | 632.87 | J/mol×K | 803.36 | Joback Calculated Property |
| Cp,gas | 646.13 | J/mol×K | 842.39 | Joback Calculated Property |
| Cp,gas | 658.37 | J/mol×K | 881.42 | Joback Calculated Property |
| Cp,gas | 669.68 | J/mol×K | 920.45 | Joback Calculated Property |
| Cp,gas | 680.18 | J/mol×K | 959.48 | Joback Calculated Property |
| Cp,gas | 689.94 | J/mol×K | 998.52 | Joback Calculated Property |
| Cp,gas | 699.09 | J/mol×K | 1037.55 | Joback Calculated Property |
| η | [0.0001469; 0.0009859] | Pa×s | [507.42; 803.36] |
|
| η | 0.0009859 | Pa×s | 507.42 | Joback Calculated Property |
| η | 0.0006238 | Pa×s | 556.74 | Joback Calculated Property |
| η | 0.0004252 | Pa×s | 606.07 | Joback Calculated Property |
| η | 0.0003070 | Pa×s | 655.39 | Joback Calculated Property |
| η | 0.0002320 | Pa×s | 704.71 | Joback Calculated Property |
| η | 0.0001819 | Pa×s | 754.04 | Joback Calculated Property |
| η | 0.0001469 | Pa×s | 803.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 1-naphthyl ester.
Sources
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