- InChI
- InChI=1S/C21H28/c1-14(2)17-7-9-18(10-8-17)21-12-19(15(3)4)11-20(13-21)16(5)6/h7-16H,1-6H3
- InChI Key
- QNOLWWWIKARVDL-UHFFFAOYSA-N
- Formula
- C21H28
- SMILES
-
CC(C)c1ccc(-c2cc(C(C)C)cc(C(C)
C)c2)cc1 - Molecular Weight1
- 280.45
- 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° | 314.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -53.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.71 | kJ/mol | Joback Calculated Property |
| log10WS | -7.63 | Crippen Calculated Property | |
| logPoct/wat | 6.724 | Crippen Calculated Property | |
| McVol | 259.230 | ml/mol | McGowan Calculated Property |
| Pc | 1487.29 | kPa | Joback Calculated Property |
| Inp | [2069.00; 2069.00] |
|
|
| Inp | 2069.00 | NIST | |
| Inp | 2069.00 | NIST | |
| Tboil | 746.86 | K | Joback Calculated Property |
| Tc | 971.85 | K | Joback Calculated Property |
| Tfus | 371.83 | K | Joback Calculated Property |
| Vc | 0.978 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [745.82; 848.27] | J/mol×K | [746.86; 971.85] |
|
| Cp,gas | 745.82 | J/mol×K | 746.86 | Joback Calculated Property |
| Cp,gas | 766.09 | J/mol×K | 784.36 | Joback Calculated Property |
| Cp,gas | 785.00 | J/mol×K | 821.86 | Joback Calculated Property |
| Cp,gas | 802.60 | J/mol×K | 859.35 | Joback Calculated Property |
| Cp,gas | 818.97 | J/mol×K | 896.85 | Joback Calculated Property |
| Cp,gas | 834.17 | J/mol×K | 934.35 | Joback Calculated Property |
| Cp,gas | 848.27 | J/mol×K | 971.85 | Joback Calculated Property |
| η | [0.0000695; 0.0015830] | Pa×s | [371.83; 746.86] |
|
| η | 0.0015830 | Pa×s | 371.83 | Joback Calculated Property |
| η | 0.0006464 | Pa×s | 434.34 | Joback Calculated Property |
| η | 0.0003306 | Pa×s | 496.84 | Joback Calculated Property |
| η | 0.0001965 | Pa×s | 559.35 | Joback Calculated Property |
| η | 0.0001296 | Pa×s | 621.85 | Joback Calculated Property |
| η | 0.0000923 | Pa×s | 684.36 | Joback Calculated Property |
| η | 0.0000695 | Pa×s | 746.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 3,4',5-triisopropyl.
Sources
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