- InChI
- InChI=1S/C11H11Cl3O3/c1-11(2,3)17-10(15)16-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H3
- InChI Key
- LJFPGBIHDPZHIN-UHFFFAOYSA-N
- Formula
- C11H11Cl3O3
- SMILES
-
CC(C)(C)OC(=O)Oc1cc(Cl)c(Cl)cc
1Cl - Molecular Weight1
- 297.56
- CAS
- 16965-08-5
- Other Names
-
- t-Butyl 2,4,5-trichlorophenyl carbonate
- Carbonic acid, 1,1-dimethylethyl 2,4,5-trichlorophenyl ester
- 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).
- 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 | 0.6498 | Relay (... Calculated Property | |
| ΔfG° | -246.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.49 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.03 | kJ/mol | Relay (... Calculated Property |
| IE | 8.69 | eV | Relay (... Calculated Property |
| log10WS | -5.44 | Relay (... Calculated Property | |
| logPoct/wat | 4.961 | Crippen Calculated Property | |
| McVol | 192.120 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| Tboil | 551.79 | K | Relay (... Calculated Property |
| Tc | 793.59 | K | Relay (... Calculated Property |
| Tfus | 354.43 | K | Relay (... Calculated Property |
| Vc | 0.711 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.75; 500.86] | J/mol×K | [700.47; 932.89] | 
|
| Cp,gas | 445.75 | J/mol×K | 700.47 | Joback Calculated Property |
| Cp,gas | 457.01 | J/mol×K | 739.21 | Joback Calculated Property |
| Cp,gas | 467.42 | J/mol×K | 777.94 | Joback Calculated Property |
| Cp,gas | 476.99 | J/mol×K | 816.68 | Joback Calculated Property |
| Cp,gas | 485.74 | J/mol×K | 855.42 | Joback Calculated Property |
| Cp,gas | 493.69 | J/mol×K | 894.15 | Joback Calculated Property |
| Cp,gas | 500.86 | J/mol×K | 932.89 | Joback Calculated Property |
| η | [0.0001063; 0.0006395] | Pa×s | [464.28; 700.47] |
|
| η | 0.0006395 | Pa×s | 464.28 | Joback Calculated Property |
| η | 0.0004219 | Pa×s | 503.64 | Joback Calculated Property |
| η | 0.0002956 | Pa×s | 543.01 | Joback Calculated Property |
| η | 0.0002174 | Pa×s | 582.38 | Joback Calculated Property |
| η | 0.0001662 | Pa×s | 621.74 | Joback Calculated Property |
| η | 0.0001312 | Pa×s | 661.11 | Joback Calculated Property |
| η | 0.0001063 | Pa×s | 700.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyl 2,4,5-trichlorophenyl carbonate.
Sources
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