- InChI
- InChI=1S/C16H21ClO4/c1-5-16(6-2,14(18)20-7-3)15(19)21-12-8-9-13(17)11(4)10-12/h8-10H,5-7H2,1-4H3
- InChI Key
- RBSUHTKVPBQRHK-UHFFFAOYSA-N
- Formula
- C16H21ClO4
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)Oc1ccc(C
l)c(C)c1 - 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° | -299.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.21 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 3.923 | Crippen Calculated Property | |
| McVol | 239.660 | ml/mol | McGowan Calculated Property |
| Pc | 1766.90 | kPa | Joback Calculated Property |
| Inp | [1978.00; 1978.00] |
|
|
| Inp | 1978.00 | NIST | |
| Inp | 1978.00 | NIST | |
| Tboil | 788.90 | K | Joback Calculated Property |
| Tc | 1003.50 | K | Joback Calculated Property |
| Tfus | 498.20 | K | Joback Calculated Property |
| Vc | 0.909 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.00; 745.82] | J/mol×K | [788.90; 1003.50] |
|
| Cp,gas | 676.00 | J/mol×K | 788.90 | Joback Calculated Property |
| Cp,gas | 690.15 | J/mol×K | 824.67 | Joback Calculated Property |
| Cp,gas | 703.26 | J/mol×K | 860.43 | Joback Calculated Property |
| Cp,gas | 715.35 | J/mol×K | 896.20 | Joback Calculated Property |
| Cp,gas | 726.45 | J/mol×K | 931.97 | Joback Calculated Property |
| Cp,gas | 736.60 | J/mol×K | 967.74 | Joback Calculated Property |
| Cp,gas | 745.82 | J/mol×K | 1003.50 | Joback Calculated Property |
| η | [0.0000672; 0.0005728] | Pa×s | [498.20; 788.90] |
|
| η | 0.0005728 | Pa×s | 498.20 | Joback Calculated Property |
| η | 0.0003422 | Pa×s | 546.65 | Joback Calculated Property |
| η | 0.0002223 | Pa×s | 595.10 | Joback Calculated Property |
| η | 0.0001541 | Pa×s | 643.55 | Joback Calculated Property |
| η | 0.0001124 | Pa×s | 692.00 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 740.45 | Joback Calculated Property |
| η | 0.0000672 | Pa×s | 788.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-chloro-3-methylphenyl ethyl ester.
Sources
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