- InChI
- InChI=1S/C18H25ClO4/c1-5-8-11-22-16(20)18(6-2,7-3)17(21)23-14-9-10-15(19)13(4)12-14/h9-10,12H,5-8,11H2,1-4H3
- InChI Key
- NLYQRRAOCKQLHD-UHFFFAOYSA-N
- Formula
- C18H25ClO4
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc
(Cl)c(C)c1 - Molecular Weight1
- 340.84
- 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° | -283.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.66 | kJ/mol | Joback Calculated Property |
| log10WS | -5.33 | Crippen Calculated Property | |
| logPoct/wat | 4.704 | Crippen Calculated Property | |
| McVol | 267.840 | ml/mol | McGowan Calculated Property |
| Pc | 1512.85 | kPa | Joback Calculated Property |
| Inp | [2149.00; 2149.00] |
|
|
| Inp | 2149.00 | NIST | |
| Inp | 2149.00 | NIST | |
| Tboil | 834.66 | K | Joback Calculated Property |
| Tc | 1046.00 | K | Joback Calculated Property |
| Tfus | 520.74 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.73; 860.72] | J/mol×K | [834.66; 1046.00] |
|
| Cp,gas | 788.73 | J/mol×K | 834.66 | Joback Calculated Property |
| Cp,gas | 803.35 | J/mol×K | 869.88 | Joback Calculated Property |
| Cp,gas | 816.87 | J/mol×K | 905.11 | Joback Calculated Property |
| Cp,gas | 829.34 | J/mol×K | 940.33 | Joback Calculated Property |
| Cp,gas | 840.78 | J/mol×K | 975.55 | Joback Calculated Property |
| Cp,gas | 851.23 | J/mol×K | 1010.78 | Joback Calculated Property |
| Cp,gas | 860.72 | J/mol×K | 1046.00 | Joback Calculated Property |
| η | [0.0000504; 0.0004680] | Pa×s | [520.74; 834.66] |
|
| η | 0.0004680 | Pa×s | 520.74 | Joback Calculated Property |
| η | 0.0002725 | Pa×s | 573.06 | Joback Calculated Property |
| η | 0.0001737 | Pa×s | 625.38 | Joback Calculated Property |
| η | 0.0001187 | Pa×s | 677.70 | Joback Calculated Property |
| η | 0.0000857 | Pa×s | 730.02 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 782.34 | Joback Calculated Property |
| η | 0.0000504 | Pa×s | 834.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl 4-chloro-3-methylphenyl ester.
Sources
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