- InChI
- InChI=1S/C17H19Cl5O4/c1-8(2)6-5-7-25-15(23)17(3,4)16(24)26-14-12(21)10(19)9(18)11(20)13(14)22/h8H,5-7H2,1-4H3
- InChI Key
- IDEFHPCVLDDHPY-UHFFFAOYSA-N
- Formula
- C17H19Cl5O4
- SMILES
-
CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1c
(Cl)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° | -370.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -797.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.58 | kJ/mol | Joback Calculated Property |
| log10WS | -7.36 | Crippen Calculated Property | |
| logPoct/wat | 6.865 | Crippen Calculated Property | |
| McVol | 302.710 | ml/mol | McGowan Calculated Property |
| Pc | 1413.31 | kPa | Joback Calculated Property |
| Inp | [2788.00; 2788.00] |
|
|
| Inp | 2788.00 | NIST | |
| Inp | 2788.00 | NIST | |
| Tboil | 976.00 | K | Joback Calculated Property |
| Tc | 1209.23 | K | Joback Calculated Property |
| Tfus | 651.71 | K | Joback Calculated Property |
| Vc | 1.155 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [815.09; 855.51] | J/mol×K | [976.00; 1209.23] |
|
| Cp,gas | 815.09 | J/mol×K | 976.00 | Joback Calculated Property |
| Cp,gas | 824.52 | J/mol×K | 1014.87 | Joback Calculated Property |
| Cp,gas | 832.83 | J/mol×K | 1053.74 | Joback Calculated Property |
| Cp,gas | 840.05 | J/mol×K | 1092.62 | Joback Calculated Property |
| Cp,gas | 846.22 | J/mol×K | 1131.49 | Joback Calculated Property |
| Cp,gas | 851.37 | J/mol×K | 1170.36 | Joback Calculated Property |
| Cp,gas | 855.51 | J/mol×K | 1209.23 | Joback Calculated Property |
| η | [0.0000286; 0.0001756] | Pa×s | [651.71; 976.00] |
|
| η | 0.0001756 | Pa×s | 651.71 | Joback Calculated Property |
| η | 0.0001155 | Pa×s | 705.76 | Joback Calculated Property |
| η | 0.0000807 | Pa×s | 759.81 | Joback Calculated Property |
| η | 0.0000591 | Pa×s | 813.86 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 867.90 | Joback Calculated Property |
| η | 0.0000354 | Pa×s | 921.95 | Joback Calculated Property |
| η | 0.0000286 | Pa×s | 976.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl pentachlorophenyl ester.
Sources
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