- InChI
- InChI=1S/C20H29ClO4/c1-5-8-9-10-13-24-18(22)20(6-2,7-3)19(23)25-16-11-12-17(21)15(4)14-16/h11-12,14H,5-10,13H2,1-4H3
- InChI Key
- LRLPJQKWDWBIMP-UHFFFAOYSA-N
- Formula
- C20H29ClO4
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c
cc(Cl)c(C)c1 - Molecular Weight1
- 368.89
- 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° | -266.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -756.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.11 | kJ/mol | Joback Calculated Property |
| log10WS | -6.17 | Crippen Calculated Property | |
| logPoct/wat | 5.484 | Crippen Calculated Property | |
| McVol | 296.020 | ml/mol | McGowan Calculated Property |
| Pc | 1309.90 | kPa | Joback Calculated Property |
| Inp | 2335.00 | NIST | |
| Tboil | 880.42 | K | Joback Calculated Property |
| Tc | 1091.11 | K | Joback Calculated Property |
| Tfus | 543.28 | K | Joback Calculated Property |
| Vc | 1.133 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [904.87; 978.42] | J/mol×K | [880.42; 1091.11] | 
|
| Cp,gas | 904.87 | J/mol×K | 880.42 | Joback Calculated Property |
| Cp,gas | 919.87 | J/mol×K | 915.53 | Joback Calculated Property |
| Cp,gas | 933.72 | J/mol×K | 950.65 | Joback Calculated Property |
| Cp,gas | 946.46 | J/mol×K | 985.76 | Joback Calculated Property |
| Cp,gas | 958.13 | J/mol×K | 1020.88 | Joback Calculated Property |
| Cp,gas | 968.77 | J/mol×K | 1055.99 | Joback Calculated Property |
| Cp,gas | 978.42 | J/mol×K | 1091.11 | Joback Calculated Property |
| η | [0.0000375; 0.0003763] | Pa×s | [543.28; 880.42] |
|
| η | 0.0003763 | Pa×s | 543.28 | Joback Calculated Property |
| η | 0.0002140 | Pa×s | 599.47 | Joback Calculated Property |
| η | 0.0001340 | Pa×s | 655.66 | Joback Calculated Property |
| η | 0.0000904 | Pa×s | 711.85 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 768.04 | Joback Calculated Property |
| η | 0.0000483 | Pa×s | 824.23 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 880.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-chloro-3-methylphenyl hexyl ester.
Sources
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