- 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
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | 272.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 117.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.63 | kJ/mol | Joback Calculated Property |
| IE | [8.05; 8.80] | eV |
|
| IE | 8.80 ± 0.05 | eV | NIST |
| IE | 8.05 ± 0.02 | eV | NIST |
| log10WS | -5.03 | Crippen 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 | |
| I | [1916.00; 1950.00] |
|
|
| I | 1950.00 | NIST | |
| I | 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 | 824.77 | K | Joback Calculated Property |
| Tfus | 325.42 | K | Joback Calculated Property |
| Ttriple | 293.09 ± 0.01 | K | NIST |
| Vc | 0.604 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.85; 457.50] | J/mol×K | [583.04; 824.77] |
|
| Cp,gas | 371.85 | J/mol×K | 583.04 | Joback Calculated Property |
| Cp,gas | 388.95 | J/mol×K | 623.33 | Joback Calculated Property |
| Cp,gas | 404.83 | J/mol×K | 663.62 | Joback Calculated Property |
| Cp,gas | 419.57 | J/mol×K | 703.90 | Joback Calculated Property |
| Cp,gas | 433.22 | J/mol×K | 744.19 | Joback Calculated Property |
| Cp,gas | 445.84 | J/mol×K | 784.48 | Joback Calculated Property |
| Cp,gas | 457.50 | J/mol×K | 824.77 | Joback Calculated Property |
| Cp,liquid | 298.06 | J/mol×K | 298.15 | NIST |
| η | [0.0001716; 0.0014925] | Pa×s | [325.42; 583.04] |
|
| η | 0.0014925 | Pa×s | 325.42 | Joback Calculated Property |
| η | 0.0008435 | Pa×s | 368.36 | Joback Calculated Property |
| η | 0.0005371 | Pa×s | 411.29 | Joback Calculated Property |
| η | 0.0003724 | Pa×s | 454.23 | Joback Calculated Property |
| η | 0.0002751 | Pa×s | 497.17 | Joback Calculated Property |
| η | 0.0002132 | Pa×s | 540.10 | Joback Calculated Property |
| η | 0.0001716 | Pa×s | 583.04 | Joback Calculated Property |
| 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 |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [394.92; 564.87] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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