- InChI
- InChI=1S/C27H43ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-20-31-25(29)27(6-2,7-3)26(30)32-24-21-22(4)18-19-23(24)28/h18-19,21H,5-17,20H2,1-4H3
- InChI Key
- SIHDQJBQOOFFTB-UHFFFAOYSA-N
- Formula
- C27H43ClO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)Oc1cc(C)ccc1Cl - Molecular Weight1
- 467.08
- 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° | -207.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -901.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.70 | kJ/mol | Joback Calculated Property |
| log10WS | -9.10 | Crippen Calculated Property | |
| logPoct/wat | 8.214 | Crippen Calculated Property | |
| McVol | 394.650 | ml/mol | McGowan Calculated Property |
| Pc | 847.51 | kPa | Joback Calculated Property |
| Inp | [3048.00; 3048.00] |
|
|
| Inp | 3048.00 | NIST | |
| Inp | 3048.00 | NIST | |
| Tboil | 1040.58 | K | Joback Calculated Property |
| Tc | 1275.64 | K | Joback Calculated Property |
| Tfus | 622.17 | K | Joback Calculated Property |
| Vc | 1.526 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1331.37; 1409.70] | J/mol×K | [1040.58; 1275.64] |
|
| Cp,gas | 1331.37 | J/mol×K | 1040.58 | Joback Calculated Property |
| Cp,gas | 1347.98 | J/mol×K | 1079.76 | Joback Calculated Property |
| Cp,gas | 1363.05 | J/mol×K | 1118.93 | Joback Calculated Property |
| Cp,gas | 1376.67 | J/mol×K | 1158.11 | Joback Calculated Property |
| Cp,gas | 1388.93 | J/mol×K | 1197.29 | Joback Calculated Property |
| Cp,gas | 1399.91 | J/mol×K | 1236.47 | Joback Calculated Property |
| Cp,gas | 1409.70 | J/mol×K | 1275.64 | Joback Calculated Property |
| η | [0.0000125; 0.0001590] | Pa×s | [622.17; 1040.58] |
|
| η | 0.0001590 | Pa×s | 622.17 | Joback Calculated Property |
| η | 0.0000841 | Pa×s | 691.91 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 761.64 | Joback Calculated Property |
| η | 0.0000324 | Pa×s | 831.38 | Joback Calculated Property |
| η | 0.0000225 | Pa×s | 901.11 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 970.84 | Joback Calculated Property |
| η | 0.0000125 | Pa×s | 1040.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-chloro-5-methylphenyl tridecyl ester.
Sources
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