- InChI
- InChI=1S/C21H31ClO4/c1-5-8-9-10-11-14-25-19(23)21(6-2,7-3)20(24)26-18-15-16(4)12-13-17(18)22/h12-13,15H,5-11,14H2,1-4H3
- InChI Key
- PWFZCTAHSIVNMU-UHFFFAOYSA-N
- Formula
- C21H31ClO4
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1
cc(C)ccc1Cl - Molecular Weight1
- 382.92
- 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° | -257.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -777.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.34 | kJ/mol | Joback Calculated Property |
| log10WS | -6.59 | Crippen Calculated Property | |
| logPoct/wat | 5.874 | Crippen Calculated Property | |
| McVol | 310.110 | ml/mol | McGowan Calculated Property |
| Pc | 1223.41 | kPa | Joback Calculated Property |
| Inp | 2429.00 | NIST | |
| Tboil | 903.30 | K | Joback Calculated Property |
| Tc | 1114.76 | K | Joback Calculated Property |
| Tfus | 554.55 | K | Joback Calculated Property |
| Vc | 1.190 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [964.07; 1038.26] | J/mol×K | [903.30; 1114.76] | 
|
| Cp,gas | 964.07 | J/mol×K | 903.30 | Joback Calculated Property |
| Cp,gas | 979.25 | J/mol×K | 938.54 | Joback Calculated Property |
| Cp,gas | 993.24 | J/mol×K | 973.79 | Joback Calculated Property |
| Cp,gas | 1006.10 | J/mol×K | 1009.03 | Joback Calculated Property |
| Cp,gas | 1017.85 | J/mol×K | 1044.27 | Joback Calculated Property |
| Cp,gas | 1028.56 | J/mol×K | 1079.52 | Joback Calculated Property |
| Cp,gas | 1038.26 | J/mol×K | 1114.76 | Joback Calculated Property |
| η | [0.0000322; 0.0003357] | Pa×s | [554.55; 903.30] |
|
| η | 0.0003357 | Pa×s | 554.55 | Joback Calculated Property |
| η | 0.0001887 | Pa×s | 612.67 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 670.80 | Joback Calculated Property |
| η | 0.0000785 | Pa×s | 728.92 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 787.05 | Joback Calculated Property |
| η | 0.0000416 | Pa×s | 845.17 | Joback Calculated Property |
| η | 0.0000322 | Pa×s | 903.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-chloro-5-methylphenyl heptyl ester.
Sources
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