- InChI
- InChI=1S/C14H14/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h3-10H,1-2H3
- InChI Key
- ABMKWMASVFVTMD-UHFFFAOYSA-N
- Formula
- C14H14
- SMILES
- Cc1ccccc1-c1ccccc1C
- Molecular Weight1
- 182.26
- CAS
- 605-39-0
- Other Names
-
- 1,1'-Biphenyl, 2,2'-dimethyl-
- 1-Methyl-2-(2'-methylphenyl)benzene
- 2,2'-Bitolyl
- 2,2'-Dimethyl-1,1'-biphenyl
- 2,2'-Ditolyl
- Diphenyl, 2,2'-dimethyl
- O,O'-Bitoluene
- O,O'-Bitolyl
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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.
- Ip : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.4274 | Relay (1.0) Calculated Property | |
| ΔfG° | 272.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 135.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.05; 8.80] | eV |
|
| IE | 8.80 ± 0.05 | eV | NIST |
| IE | 8.05 ± 0.02 | eV | NIST |
| log10WS | -4.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.970 | Crippen Calculated Property | |
| McVol | 160.600 | ml/mol | McGowan Calculated Property |
| Pc | 2684.64 | kPa | Joback Calculated Property |
| Inp | [241.94; 1546.00] |
|
|
| Inp | 1546.00 | NIST | |
| Inp | 261.78 | NIST | |
| Inp | 243.90 | NIST | |
| Inp | 241.94 | NIST | |
| Ip | [1916.00; 1950.00] |
|
|
| Ip | 1950.00 | NIST | |
| Ip | 1916.00 | NIST | |
| S°liquid | 332.60 | J/mol×K | NIST |
| Tboil | [530.00; 531.00] | K |
|
| Tboil | 531.00 ± 4.00 | K | NIST |
| Tboil | 531.00 ± 4.00 | K | NIST |
| Tboil | 531.00 ± 3.00 | K | NIST |
| Tboil | 531.00 ± 4.00 | K | NIST |
| Tboil | 530.00 ± 4.00 | K | NIST |
| Tc | 789.27 | K | Relay (1.0) Calculated Property |
| Tfus | [290.00; 523.00] | K |
|
| Tfus | 291.90 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 290.00 ± 2.00 | K | NIST |
| Tfus | 293.00 ± 1.00 | K | NIST |
| Tfus | 340.00 ± 4.00 | K | NIST |
| Tfus | Outlier 523.00 ± 5.00 | K | NIST |
| Tfus | 290.00 ± 3.00 | K | NIST |
| Tfus | 290.00 ± 3.00 | K | NIST |
| Tfus | 291.50 ± 1.00 | K | NIST |
| Tfus | 290.00 ± 1.00 | K | NIST |
| Tfus | 290.70 ± 2.00 | K | NIST |
| Tfus | 291.00 ± 2.00 | K | NIST |
| Ttriple | 293.09 ± 0.01 | K | NIST |
| Vc | 0.601 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 298.06 | J/mol×K | 298.15 | NIST |
| ΔfusH | [2.28; 2.28] | kJ/mol | [293.09; 293.10] |
|
| ΔfusH | 2.28 | kJ/mol | 293.09 | NIST |
| ΔfusH | 2.28 | kJ/mol | 293.10 | NIST |
| ΔfusH | 2.28 | kJ/mol | 293.10 | NIST |
| ΔsubH | 65.70 | kJ/mol | 285.50 | NIST |
| ΔfusS | 7.78 | J/mol×K | 293.09 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.06; 498.47] | 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 | -4.90500e+01 | |||
| Coefficient B | 1.05704e+00 | |||
| Coefficient C | -6.66120e-04 | |||
| Coefficient D | 1.56600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 193.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 248.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 297.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 340.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 377.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 409.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 437.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 461.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 481.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 498.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024362; 0.0001761] | Pa×s | [295.81; 577.54] |
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 | -1.14025e+01 | |||
| Coefficient B | 1.59300e+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. | 295.81 | |||
| Temperature range, max. | 577.54 | |||
| η | 0.0024362 | Pa×s | 295.81 | Calculated Property |
| η | 0.0014551 | Pa×s | 327.11 | Calculated Property |
| η | 0.0009510 | Pa×s | 358.42 | Calculated Property |
| η | 0.0006655 | Pa×s | 389.72 | Calculated Property |
| η | 0.0004911 | Pa×s | 421.02 | Calculated Property |
| η | 0.0003780 | Pa×s | 452.32 | Calculated Property |
| η | 0.0003009 | Pa×s | 483.63 | Calculated Property |
| η | 0.0002463 | Pa×s | 514.93 | Calculated Property |
| η | 0.0002063 | Pa×s | 546.23 | Calculated Property |
| η | 0.0001761 | Pa×s | 577.54 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [394.92; 564.87] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43603e+01 | |||
| Coefficient B | -4.30779e+03 | |||
| Coefficient C | -8.88100e+01 | |||
| Temperature range, min. | 394.92 | |||
| Temperature range, max. | 564.87 | |||
| Pvap | 1.33 | kPa | 394.92 | Calculated Property |
| Pvap | 3.02 | kPa | 413.80 | Calculated Property |
| Pvap | 6.25 | kPa | 432.69 | Calculated Property |
| Pvap | 12.00 | kPa | 451.57 | Calculated Property |
| Pvap | 21.60 | kPa | 470.45 | Calculated Property |
| Pvap | 36.78 | kPa | 489.34 | Calculated Property |
| Pvap | 59.69 | kPa | 508.22 | Calculated Property |
| Pvap | 92.92 | kPa | 527.10 | Calculated Property |
| Pvap | 139.45 | kPa | 545.99 | Calculated Property |
| Pvap | 202.64 | kPa | 564.87 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2'-Dimethylbiphenyl.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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