- InChI
- InChI=1S/C21H25ClO2/c1-20(2,3)15-12-16(21(4,5)6)18(17(22)13-15)24-19(23)14-10-8-7-9-11-14/h7-13H,1-6H3
- InChI Key
- KMADBTVKBVDACU-UHFFFAOYSA-N
- Formula
- C21H25ClO2
- SMILES
-
CC(C)(C)c1cc(Cl)c(OC(=O)c2cccc
c2)c(C(C)(C)C)c1 - Molecular Weight1
- 344.88
- CAS
- 116632-94-1
- 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).
- 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° | 81.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.83 | kJ/mol | Joback Calculated Property |
| log10WS | -6.87 | Crippen Calculated Property | |
| logPoct/wat | 6.154 | Crippen Calculated Property | |
| McVol | 278.910 | ml/mol | McGowan Calculated Property |
| Pc | 1514.03 | kPa | Joback Calculated Property |
| Tboil | 855.44 | K | Joback Calculated Property |
| Tc | 1095.89 | K | Joback Calculated Property |
| Tfus | 523.75 | K | Joback Calculated Property |
| Vc | 1.046 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [822.76; 902.82] | J/mol×K | [855.44; 1095.89] | 
|
| Cp,gas | 822.76 | J/mol×K | 855.44 | Joback Calculated Property |
| Cp,gas | 838.90 | J/mol×K | 895.51 | Joback Calculated Property |
| Cp,gas | 853.77 | J/mol×K | 935.59 | Joback Calculated Property |
| Cp,gas | 867.48 | J/mol×K | 975.66 | Joback Calculated Property |
| Cp,gas | 880.15 | J/mol×K | 1015.74 | Joback Calculated Property |
| Cp,gas | 891.89 | J/mol×K | 1055.81 | Joback Calculated Property |
| Cp,gas | 902.82 | J/mol×K | 1095.89 | Joback Calculated Property |
| η | [0.0000373; 0.0004049] | Pa×s | [523.75; 855.44] |
|
| η | 0.0004049 | Pa×s | 523.75 | Joback Calculated Property |
| η | 0.0002251 | Pa×s | 579.03 | Joback Calculated Property |
| η | 0.0001386 | Pa×s | 634.31 | Joback Calculated Property |
| η | 0.0000922 | Pa×s | 689.60 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 744.88 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 800.16 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 855.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Di-tert-butyl-6-chlorophenyl benzoate.
Sources
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