- InChI
- InChI=1S/C16H18/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
- InChI Key
- YXBIAYXZUDJVEB-UHFFFAOYSA-N
- Formula
- C16H18
- SMILES
- Cc1ccc(-c2ccc(C)c(C)c2)cc1C
- Molecular Weight1
- 210.32
- Other Names
-
- Biphenyl, 3,3',4,4'-tetramethyl-
- 3,3',4,4'-Tetramethylbiphenyl
- 3,3',4,4'-Tetramethyldiphenyl
- 3,4,3',4'-Tetramethylbiphenyl
- 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 | 0.5209 | Relay (1.0) Calculated Property | |
| ΔfG° | 270.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 72.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.587 | Crippen Calculated Property | |
| McVol | 188.780 | ml/mol | McGowan Calculated Property |
| Pc | 2159.31 | kPa | Joback Calculated Property |
| Tboil | 598.56 | K | Relay (1.0) Calculated Property |
| Tc | 817.93 | K | Relay (1.0) Calculated Property |
| Tfus | [349.00; 350.00] | K |
|
| Tfus | 350.00 ± 3.00 | K | NIST |
| Tfus | 350.00 ± 4.00 | K | NIST |
| Tfus | 349.00 ± 4.00 | K | NIST |
| Tfus | 349.00 ± 4.00 | K | NIST |
| Vc | 0.713 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.59; 595.57] | 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 | -2.22700e+01 | |||
| Coefficient B | 1.12808e+00 | |||
| Coefficient C | -6.40840e-04 | |||
| Coefficient D | 1.30600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 240.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 302.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 357.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 406.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 450.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 488.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 521.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 550.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 574.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 595.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012736; 0.0001630] | Pa×s | [349.50; 610.97] |
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 | -1.14694e+01 | |||
| Coefficient B | 1.67880e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 349.50 | |||
| Temperature range, max. | 610.97 | |||
| η | 0.0012736 | Pa×s | 349.50 | Calculated Property |
| η | 0.0008809 | Pa×s | 378.55 | Calculated Property |
| η | 0.0006422 | Pa×s | 407.60 | Calculated Property |
| η | 0.0004882 | Pa×s | 436.66 | Calculated Property |
| η | 0.0003841 | Pa×s | 465.71 | Calculated Property |
| η | 0.0003108 | Pa×s | 494.76 | Calculated Property |
| η | 0.0002575 | Pa×s | 523.81 | Calculated Property |
| η | 0.0002176 | Pa×s | 552.87 | Calculated Property |
| η | 0.0001870 | Pa×s | 581.92 | Calculated Property |
| η | 0.0001630 | Pa×s | 610.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 3,3',4,4'-tetramethyl-.
Sources
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