- InChI
- InChI=1S/C17H23ClO4/c1-5-10-21-15(19)17(6-2,7-3)16(20)22-13-8-9-14(18)12(4)11-13/h8-9,11H,5-7,10H2,1-4H3
- InChI Key
- XVBYKCULCPQFSC-UHFFFAOYSA-N
- Formula
- C17H23ClO4
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(
Cl)c(C)c1 - Molecular Weight1
- 326.81
- 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° | -291.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.44 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.313 | Crippen Calculated Property | |
| McVol | 253.750 | ml/mol | McGowan Calculated Property |
| Pc | 1632.49 | kPa | Joback Calculated Property |
| Inp | 2064.00 | NIST | |
| Tboil | 811.78 | K | Joback Calculated Property |
| Tc | 1024.45 | K | Joback Calculated Property |
| Tfus | 509.47 | K | Joback Calculated Property |
| Vc | 0.966 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.90; 802.91] | J/mol×K | [811.78; 1024.45] | 
|
| Cp,gas | 731.90 | J/mol×K | 811.78 | Joback Calculated Property |
| Cp,gas | 746.30 | J/mol×K | 847.22 | Joback Calculated Property |
| Cp,gas | 759.64 | J/mol×K | 882.67 | Joback Calculated Property |
| Cp,gas | 771.93 | J/mol×K | 918.11 | Joback Calculated Property |
| Cp,gas | 783.22 | J/mol×K | 953.56 | Joback Calculated Property |
| Cp,gas | 793.54 | J/mol×K | 989.00 | Joback Calculated Property |
| Cp,gas | 802.91 | J/mol×K | 1024.45 | Joback Calculated Property |
| η | [0.0000583; 0.0005189] | Pa×s | [509.47; 811.78] |
|
| η | 0.0005189 | Pa×s | 509.47 | Joback Calculated Property |
| η | 0.0003060 | Pa×s | 559.86 | Joback Calculated Property |
| η | 0.0001968 | Pa×s | 610.24 | Joback Calculated Property |
| η | 0.0001355 | Pa×s | 660.62 | Joback Calculated Property |
| η | 0.0000983 | Pa×s | 711.01 | Joback Calculated Property |
| η | 0.0000744 | Pa×s | 761.39 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 811.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-chloro-3-methylphenyl propyl ester.
Sources
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