- InChI
- InChI=1S/C13H14ClNO5/c1-3-13(4-2,11(14)16)12(17)20-10-7-5-9(6-8-10)15(18)19/h5-8H,3-4H2,1-2H3
- InChI Key
- YGDHCRACFJXLRA-UHFFFAOYSA-N
- Formula
- C13H14ClNO5
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)Oc1ccc([N
+](=O)[O-])cc1 - Molecular Weight1
- 299.71
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -175.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.05 | kJ/mol | Joback Calculated Property |
| log10WS | -4.22 | Crippen Calculated Property | |
| logPoct/wat | 3.072 | Crippen Calculated Property | |
| McVol | 208.940 | ml/mol | McGowan Calculated Property |
| Pc | 2386.52 | kPa | Joback Calculated Property |
| Inp | 2061.00 | NIST | |
| Tboil | 844.70 | K | Joback Calculated Property |
| Tc | 1088.19 | K | Joback Calculated Property |
| Tfus | 573.25 | K | Joback Calculated Property |
| Vc | 0.805 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [584.76; 635.80] | J/mol×K | [844.70; 1088.19] | 
|
| Cp,gas | 584.76 | J/mol×K | 844.70 | Joback Calculated Property |
| Cp,gas | 595.62 | J/mol×K | 885.28 | Joback Calculated Property |
| Cp,gas | 605.44 | J/mol×K | 925.86 | Joback Calculated Property |
| Cp,gas | 614.30 | J/mol×K | 966.44 | Joback Calculated Property |
| Cp,gas | 622.27 | J/mol×K | 1007.03 | Joback Calculated Property |
| Cp,gas | 629.41 | J/mol×K | 1047.61 | Joback Calculated Property |
| Cp,gas | 635.80 | J/mol×K | 1088.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 4-nitrophenyl ester.
Sources
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