- InChI
- InChI=1S/C22H33ClO4/c1-5-8-9-10-11-12-15-26-20(24)22(6-2,7-3)21(25)27-19-16-17(4)13-14-18(19)23/h13-14,16H,5-12,15H2,1-4H3
- InChI Key
- UQWLVXXPANUXOT-UHFFFAOYSA-N
- Formula
- C22H33ClO4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc
1cc(C)ccc1Cl - Molecular Weight1
- 396.95
- 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° | -249.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -797.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.57 | kJ/mol | Joback Calculated Property |
| log10WS | -7.01 | Crippen Calculated Property | |
| logPoct/wat | 6.264 | Crippen Calculated Property | |
| McVol | 324.200 | ml/mol | McGowan Calculated Property |
| Pc | 1145.21 | kPa | Joback Calculated Property |
| Inp | [2527.00; 2527.00] |
|
|
| Inp | 2527.00 | NIST | |
| Inp | 2527.00 | NIST | |
| Tboil | 926.18 | K | Joback Calculated Property |
| Tc | 1139.21 | K | Joback Calculated Property |
| Tfus | 565.82 | K | Joback Calculated Property |
| Vc | 1.246 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1023.93; 1098.73] | J/mol×K | [926.18; 1139.21] |
|
| Cp,gas | 1023.93 | J/mol×K | 926.18 | Joback Calculated Property |
| Cp,gas | 1039.29 | J/mol×K | 961.69 | Joback Calculated Property |
| Cp,gas | 1053.43 | J/mol×K | 997.19 | Joback Calculated Property |
| Cp,gas | 1066.40 | J/mol×K | 1032.70 | Joback Calculated Property |
| Cp,gas | 1078.24 | J/mol×K | 1068.20 | Joback Calculated Property |
| Cp,gas | 1089.00 | J/mol×K | 1103.71 | Joback Calculated Property |
| Cp,gas | 1098.73 | J/mol×K | 1139.21 | Joback Calculated Property |
| η | [0.0000276; 0.0002985] | Pa×s | [565.82; 926.18] |
|
| η | 0.0002985 | Pa×s | 565.82 | Joback Calculated Property |
| η | 0.0001659 | Pa×s | 625.88 | Joback Calculated Property |
| η | 0.0001022 | Pa×s | 685.94 | Joback Calculated Property |
| η | 0.0000681 | Pa×s | 746.00 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 806.06 | Joback Calculated Property |
| η | 0.0000358 | Pa×s | 866.12 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 926.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-chloro-5-methylphenyl octyl ester.
Sources
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