- InChI
- InChI=1S/C8H13Cl3O3/c1-7(2,3)4-13-6(12)14-5-8(9,10)11/h4-5H2,1-3H3
- InChI Key
- DGZGZIOPBXWWDS-UHFFFAOYSA-N
- Formula
- C8H13Cl3O3
- SMILES
- CC(C)(C)COC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 263.55
- 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° | -352.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -650.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.53 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 3.556 | Crippen Calculated Property | |
| McVol | 173.610 | ml/mol | McGowan Calculated Property |
| Pc | 2426.65 | kPa | Joback Calculated Property |
| Inp | [1307.00; 1307.00] |
|
|
| Inp | 1307.00 | NIST | |
| Inp | 1307.00 | NIST | |
| Tboil | 586.98 | K | Joback Calculated Property |
| Tc | 798.54 | K | Joback Calculated Property |
| Tfus | 368.91 | K | Joback Calculated Property |
| Vc | 0.650 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.35; 449.94] | J/mol×K | [586.98; 798.54] |
|
| Cp,gas | 390.35 | J/mol×K | 586.98 | Joback Calculated Property |
| Cp,gas | 402.16 | J/mol×K | 622.24 | Joback Calculated Property |
| Cp,gas | 413.17 | J/mol×K | 657.50 | Joback Calculated Property |
| Cp,gas | 423.42 | J/mol×K | 692.76 | Joback Calculated Property |
| Cp,gas | 432.94 | J/mol×K | 728.02 | Joback Calculated Property |
| Cp,gas | 441.77 | J/mol×K | 763.28 | Joback Calculated Property |
| Cp,gas | 449.94 | J/mol×K | 798.54 | Joback Calculated Property |
| η | [0.0001523; 0.0019835] | Pa×s | [368.91; 586.98] |
|
| η | 0.0019835 | Pa×s | 368.91 | Joback Calculated Property |
| η | 0.0010673 | Pa×s | 405.25 | Joback Calculated Property |
| η | 0.0006360 | Pa×s | 441.60 | Joback Calculated Property |
| η | 0.0004100 | Pa×s | 477.95 | Joback Calculated Property |
| η | 0.0002813 | Pa×s | 514.29 | Joback Calculated Property |
| η | 0.0002028 | Pa×s | 550.63 | Joback Calculated Property |
| η | 0.0001523 | Pa×s | 586.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, 2,2,2-trichloroethyl neopentyl ester.
Sources
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