- InChI
- InChI=1S/C15H17Cl3O4/c1-8(2)7-21-13(19)15(3,4)14(20)22-11-6-9(16)5-10(17)12(11)18/h5-6,8H,7H2,1-4H3
- InChI Key
- LFEZGRXARYBFLH-UHFFFAOYSA-N
- Formula
- C15H17Cl3O4
- SMILES
-
CC(C)COC(=O)C(C)(C)C(=O)Oc1cc(
Cl)cc(Cl)c1Cl - Molecular Weight1
- 367.65
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7340 | Relay (1.0) Calculated Property | |
| ΔfG° | -344.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -811.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.778 | Crippen Calculated Property | |
| McVol | 250.050 | ml/mol | McGowan Calculated Property |
| Pc | 1789.39 | kPa | Joback Calculated Property |
| Inp | 2192.00 | NIST | |
| Tboil | 601.57 | K | Relay (1.0) Calculated Property |
| Tc | 849.25 | K | Relay (1.0) Calculated Property |
| Tfus | 328.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.910 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.74; 720.91] | J/mol×K | [845.42; 1072.72] | 
|
| Cp,gas | 666.74 | J/mol×K | 845.42 | Joback Calculated Property |
| Cp,gas | 678.28 | J/mol×K | 883.30 | Joback Calculated Property |
| Cp,gas | 688.78 | J/mol×K | 921.19 | Joback Calculated Property |
| Cp,gas | 698.26 | J/mol×K | 959.07 | Joback Calculated Property |
| Cp,gas | 706.76 | J/mol×K | 996.95 | Joback Calculated Property |
| Cp,gas | 714.30 | J/mol×K | 1034.84 | Joback Calculated Property |
| Cp,gas | 720.91 | J/mol×K | 1072.72 | Joback Calculated Property |
| η | [0.0000532; 0.0004127] | Pa×s | [544.29; 845.42] |
|
| η | 0.0004127 | Pa×s | 544.29 | Joback Calculated Property |
| η | 0.0002539 | Pa×s | 594.48 | Joback Calculated Property |
| η | 0.0001685 | Pa×s | 644.67 | Joback Calculated Property |
| η | 0.0001186 | Pa×s | 694.86 | Joback Calculated Property |
| η | 0.0000876 | Pa×s | 745.04 | Joback Calculated Property |
| η | 0.0000672 | Pa×s | 795.23 | Joback Calculated Property |
| η | 0.0000532 | Pa×s | 845.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isobutyl 2,3,5-trichlorophenyl ester.
Sources
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