- InChI
- InChI=1S/C17H19Cl5O4/c1-4-5-6-7-8-25-15(23)17(2,3)16(24)26-14-12(21)10(19)9(18)11(20)13(14)22/h4-8H2,1-3H3
- InChI Key
- JBSWAYORSIHUHR-UHFFFAOYSA-N
- Formula
- C17H19Cl5O4
- SMILES
-
CCCCCCOC(=O)C(C)(C)C(=O)Oc1c(C
l)c(Cl)c(Cl)c(Cl)c1Cl - Molecular Weight1
- 464.60
- 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° | -368.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -792.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.96 | kJ/mol | Joback Calculated Property |
| log10WS | -7.60 | Crippen Calculated Property | |
| logPoct/wat | 7.009 | Crippen Calculated Property | |
| McVol | 302.710 | ml/mol | McGowan Calculated Property |
| Pc | 1404.84 | kPa | Joback Calculated Property |
| Inp | [2833.00; 2833.00] |
|
|
| Inp | 2833.00 | NIST | |
| Inp | 2833.00 | NIST | |
| Tboil | 976.44 | K | Joback Calculated Property |
| Tc | 1207.71 | K | Joback Calculated Property |
| Tfus | 666.71 | K | Joback Calculated Property |
| Vc | 1.161 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [814.62; 855.44] | J/mol×K | [976.44; 1207.71] |
|
| Cp,gas | 814.62 | J/mol×K | 976.44 | Joback Calculated Property |
| Cp,gas | 824.03 | J/mol×K | 1014.98 | Joback Calculated Property |
| Cp,gas | 832.37 | J/mol×K | 1053.53 | Joback Calculated Property |
| Cp,gas | 839.65 | J/mol×K | 1092.07 | Joback Calculated Property |
| Cp,gas | 845.90 | J/mol×K | 1130.62 | Joback Calculated Property |
| Cp,gas | 851.16 | J/mol×K | 1169.16 | Joback Calculated Property |
| Cp,gas | 855.44 | J/mol×K | 1207.71 | Joback Calculated Property |
| η | [0.0000314; 0.0001677] | Pa×s | [666.71; 976.44] |
|
| η | 0.0001677 | Pa×s | 666.71 | Joback Calculated Property |
| η | 0.0001147 | Pa×s | 718.33 | Joback Calculated Property |
| η | 0.0000826 | Pa×s | 769.95 | Joback Calculated Property |
| η | 0.0000620 | Pa×s | 821.57 | Joback Calculated Property |
| η | 0.0000481 | Pa×s | 873.20 | Joback Calculated Property |
| η | 0.0000384 | Pa×s | 924.82 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 976.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, hexyl pentachlorophenyl ester.
Sources
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