- InChI
- InChI=1S/C7H11Cl3O2/c1-4-6(2,3)12-5(11)7(8,9)10/h4H2,1-3H3
- InChI Key
- IOFGLFCKRVLSBV-UHFFFAOYSA-N
- Formula
- C7H11Cl3O2
- SMILES
- CCC(C)(C)OC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 233.52
- 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.
- I : 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 | 0.3760 | Relay (1.0) Calculated Property | |
| ΔfG° | -255.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.088 | Crippen Calculated Property | |
| McVol | 153.650 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Inp | [1147.00; 1147.00] |
|
|
| Inp | 1147.00 | NIST | |
| Inp | 1147.00 | NIST | |
| I | [1417.00; 1417.00] |
|
|
| I | 1417.00 | NIST | |
| I | 1417.00 | NIST | |
| Tboil | 465.01 | K | Relay (1.0) Calculated Property |
| Tc | 667.12 | K | Relay (1.0) Calculated Property |
| Tfus | 250.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.553 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.35; 378.22] | J/mol×K | [541.68; 759.32] |
|
| Cp,gas | 322.35 | J/mol×K | 541.68 | Joback Calculated Property |
| Cp,gas | 333.60 | J/mol×K | 577.95 | Joback Calculated Property |
| Cp,gas | 344.01 | J/mol×K | 614.23 | Joback Calculated Property |
| Cp,gas | 353.63 | J/mol×K | 650.50 | Joback Calculated Property |
| Cp,gas | 362.50 | J/mol×K | 686.77 | Joback Calculated Property |
| Cp,gas | 370.68 | J/mol×K | 723.04 | Joback Calculated Property |
| Cp,gas | 378.22 | J/mol×K | 759.32 | Joback Calculated Property |
| η | [0.0002336; 0.0033014] | Pa×s | [335.41; 541.68] |
|
| η | 0.0033014 | Pa×s | 335.41 | Joback Calculated Property |
| η | 0.0017293 | Pa×s | 369.79 | Joback Calculated Property |
| η | 0.0010112 | Pa×s | 404.17 | Joback Calculated Property |
| η | 0.0006431 | Pa×s | 438.55 | Joback Calculated Property |
| η | 0.0004369 | Pa×s | 472.92 | Joback Calculated Property |
| η | 0.0003127 | Pa×s | 507.30 | Joback Calculated Property |
| η | 0.0002336 | Pa×s | 541.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, trichloro, 1,1-dimethylpropyl ester.
Sources
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