- InChI
- InChI=1S/C17H31ClO3/c1-6-17(7-2,15(18)19)16(20)21-12-11-14(5)10-8-9-13(3)4/h13-14H,6-12H2,1-5H3
- InChI Key
- KFALRKOMLHREOG-UHFFFAOYSA-N
- Formula
- C17H31ClO3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OCCC(C)CC
CC(C)C - Molecular Weight1
- 318.88
- 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° | -284.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.65 | kJ/mol | Joback Calculated Property |
| log10WS | -5.00 | Crippen Calculated Property | |
| logPoct/wat | 4.954 | Crippen Calculated Property | |
| McVol | 271.640 | ml/mol | McGowan Calculated Property |
| Pc | 1329.07 | kPa | Joback Calculated Property |
| Inp | 1840.00 | NIST | |
| Tboil | 751.84 | K | Joback Calculated Property |
| Tc | 942.08 | K | Joback Calculated Property |
| Tfus | 405.78 | K | Joback Calculated Property |
| Vc | 1.044 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [795.33; 883.03] | J/mol×K | [751.84; 942.08] | 
|
| Cp,gas | 795.33 | J/mol×K | 751.84 | Joback Calculated Property |
| Cp,gas | 812.26 | J/mol×K | 783.55 | Joback Calculated Property |
| Cp,gas | 828.21 | J/mol×K | 815.25 | Joback Calculated Property |
| Cp,gas | 843.23 | J/mol×K | 846.96 | Joback Calculated Property |
| Cp,gas | 857.34 | J/mol×K | 878.67 | Joback Calculated Property |
| Cp,gas | 870.60 | J/mol×K | 910.37 | Joback Calculated Property |
| Cp,gas | 883.03 | J/mol×K | 942.08 | Joback Calculated Property |
| η | [0.0000653; 0.0019919] | Pa×s | [405.78; 751.84] |
|
| η | 0.0019919 | Pa×s | 405.78 | Joback Calculated Property |
| η | 0.0007906 | Pa×s | 463.46 | Joback Calculated Property |
| η | 0.0003850 | Pa×s | 521.13 | Joback Calculated Property |
| η | 0.0002164 | Pa×s | 578.81 | Joback Calculated Property |
| η | 0.0001350 | Pa×s | 636.49 | Joback Calculated Property |
| η | 0.0000911 | Pa×s | 694.16 | Joback Calculated Property |
| η | 0.0000653 | Pa×s | 751.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 3,7-dimethyloctyl ester.
Sources
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