- InChI
- InChI=1S/C16H21ClO4/c1-4-11-20-14(18)16(5-2,6-3)15(19)21-13-9-7-12(17)8-10-13/h7-10H,4-6,11H2,1-3H3
- InChI Key
- GHAHZSTUBNEDSS-UHFFFAOYSA-N
- Formula
- C16H21ClO4
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(
Cl)cc1 - Molecular Weight1
- 312.79
- 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° | -290.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -662.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.44 | Crippen Calculated Property | |
| logPoct/wat | 4.005 | Crippen Calculated Property | |
| McVol | 239.660 | ml/mol | McGowan Calculated Property |
| Pc | 1789.39 | kPa | Joback Calculated Property |
| Inp | [1944.00; 1944.00] |
|
|
| Inp | 1944.00 | NIST | |
| Inp | 1944.00 | NIST | |
| Tboil | 783.92 | K | Joback Calculated Property |
| Tc | 997.75 | K | Joback Calculated Property |
| Tfus | 485.68 | K | Joback Calculated Property |
| Vc | 0.909 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.07; 747.43] | J/mol×K | [783.92; 997.75] |
|
| Cp,gas | 677.07 | J/mol×K | 783.92 | Joback Calculated Property |
| Cp,gas | 691.32 | J/mol×K | 819.56 | Joback Calculated Property |
| Cp,gas | 704.51 | J/mol×K | 855.20 | Joback Calculated Property |
| Cp,gas | 716.69 | J/mol×K | 890.83 | Joback Calculated Property |
| Cp,gas | 727.87 | J/mol×K | 926.47 | Joback Calculated Property |
| Cp,gas | 738.11 | J/mol×K | 962.11 | Joback Calculated Property |
| Cp,gas | 747.43 | J/mol×K | 997.75 | Joback Calculated Property |
| η | [0.0000669; 0.0006732] | Pa×s | [485.68; 783.92] |
|
| η | 0.0006732 | Pa×s | 485.68 | Joback Calculated Property |
| η | 0.0003832 | Pa×s | 535.39 | Joback Calculated Property |
| η | 0.0002400 | Pa×s | 585.09 | Joback Calculated Property |
| η | 0.0001618 | Pa×s | 634.80 | Joback Calculated Property |
| η | 0.0001155 | Pa×s | 684.51 | Joback Calculated Property |
| η | 0.0000863 | Pa×s | 734.21 | Joback Calculated Property |
| η | 0.0000669 | Pa×s | 783.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-chlorophenyl propyl ester.
Sources
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