- InChI
- InChI=1S/C16H18/c1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3
- InChI Key
- ZHTROMYSDSTCCE-UHFFFAOYSA-N
- Formula
- C16H18
- SMILES
- Cc1ccc(C)c(-c2cc(C)ccc2C)c1
- Molecular Weight1
- 210.31
- CAS
- 3075-84-1
- Other Names
-
- 2,2',5,5'-Tetramethyl-1,1'-biphenyl
- Biphenyl-, 2,2',5,5'-tetramethyl-
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5240 | Relay (1.0) Calculated Property | |
| ΔfG° | 270.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 72.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.91 | 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 |
| Inp | [1656.50; 1668.50] |
|
|
| Inp | 1663.60 | NIST | |
| Inp | 1656.50 | NIST | |
| Inp | 1663.20 | NIST | |
| Inp | 1668.50 | NIST | |
| Tboil | 588.06 | K | Relay (1.0) Calculated Property |
| Tc | 810.59 | K | Relay (1.0) Calculated Property |
| Tfus | [323.00; 326.00] | K |
|
| Tfus | 326.00 ± 4.00 | K | NIST |
| Tfus | 323.00 ± 4.00 | K | NIST |
| Vc | 0.713 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 557.20 | K | 97.60 | NIST |
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 | [0.0018439; 0.0001630] | Pa×s | [324.50; 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. | 324.50 | |||
| Temperature range, max. | 610.97 | |||
| η | 0.0018439 | Pa×s | 324.50 | Calculated Property |
| η | 0.0011615 | Pa×s | 356.33 | Calculated Property |
| η | 0.0007893 | Pa×s | 388.16 | Calculated Property |
| η | 0.0005687 | Pa×s | 419.99 | Calculated Property |
| η | 0.0004291 | Pa×s | 451.82 | Calculated Property |
| η | 0.0003360 | Pa×s | 483.65 | Calculated Property |
| η | 0.0002712 | Pa×s | 515.48 | Calculated Property |
| η | 0.0002244 | Pa×s | 547.31 | Calculated Property |
| η | 0.0001896 | Pa×s | 579.14 | Calculated Property |
| η | 0.0001630 | Pa×s | 610.97 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [416.52; 627.18] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.29479e+01 | |||
| Coefficient B | -4.05388e+03 | |||
| Coefficient C | -9.63160e+01 | |||
| Temperature range, min. | 416.52 | |||
| Temperature range, max. | 627.18 | |||
| Pvap | 1.33 | kPa | 416.52 | Calculated Property |
| Pvap | 3.16 | kPa | 439.93 | Calculated Property |
| Pvap | 6.70 | kPa | 463.33 | Calculated Property |
| Pvap | 13.00 | kPa | 486.74 | Calculated Property |
| Pvap | 23.38 | kPa | 510.15 | Calculated Property |
| Pvap | 39.50 | kPa | 533.55 | Calculated Property |
| Pvap | 63.27 | kPa | 556.96 | Calculated Property |
| Pvap | 96.83 | kPa | 580.37 | Calculated Property |
| Pvap | 142.49 | kPa | 603.77 | Calculated Property |
| Pvap | 202.66 | kPa | 627.18 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 2,2',5,5'-tetramethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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