- 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
- 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.
- 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 | 0.5940 | Relay (1.0) Calculated Property | |
| ΔfG° | 314.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -56.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.74 | Relay (1.0) 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 | 618.97 | K | Relay (1.0) Calculated Property |
| Tc | 851.89 | K | Relay (1.0) Calculated Property |
| Tfus | 338.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.966 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.17; 858.18] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.61600e+01 | |||
| Coefficient B | 1.68032e+00 | |||
| Coefficient C | -9.89480e-04 | |||
| Coefficient D | 2.13500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 343.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 433.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 514.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 586.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 649.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 704.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 751.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 792.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 828.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 858.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015830; 0.0000941] | Pa×s | [371.83; 680.48] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.26726e+01 | |||
| Coefficient B | 2.31432e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 371.83 | |||
| Temperature range, max. | 680.48 | |||
| η | 0.0015830 | Pa×s | 371.83 | Calculated Property |
| η | 0.0009359 | Pa×s | 406.12 | Calculated Property |
| η | 0.0006005 | Pa×s | 440.42 | Calculated Property |
| η | 0.0004108 | Pa×s | 474.71 | Calculated Property |
| η | 0.0002958 | Pa×s | 509.01 | Calculated Property |
| η | 0.0002220 | Pa×s | 543.30 | Calculated Property |
| η | 0.0001724 | Pa×s | 577.59 | Calculated Property |
| η | 0.0001377 | Pa×s | 611.89 | Calculated Property |
| η | 0.0001127 | Pa×s | 646.18 | Calculated Property |
| η | 0.0000941 | Pa×s | 680.48 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 3,4',5-triisopropyl.
Sources
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