- InChI
- InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3
- InChI Key
- ALLIZEAXNXSFGD-UHFFFAOYSA-N
- Formula
- C13H12
- SMILES
- Cc1ccccc1-c1ccccc1
- Molecular Weight1
- 168.24
- CAS
- 643-58-3
- Other Names
-
- 1-methyl-2-phenylbenzene
- 2-Methyldiphenyl
- 2-Phenyltoluene
- 2-methyl-1,1'-biphenyl
- 2-methylbiphenyl
- biphenyl, 2-methyl-
- o-Phenyltoluene
- o-methylbiphenyl
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- 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 | 0.3777 | Relay (1.0) Calculated Property | |
| PAff | 815.90 | kJ/mol | NIST |
| BasG | 783.40 | kJ/mol | NIST |
| ΔcH°liquid | [-6950.90; -6694.00] | kJ/mol |
|
| ΔcH°liquid | -6917.10 ± 1.20 | kJ/mol | NIST |
| ΔcH°liquid | -6950.90 | kJ/mol | NIST |
| ΔcH°liquid | -6694.00 | kJ/mol | NIST |
| ΔcH°liquid | -6938.70 ± 7.10 | kJ/mol | NIST |
| ΔfG° | 273.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 152.80 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | 86.50 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [66.30; 66.30] | kJ/mol |
|
| ΔvapH° | 66.30 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 66.30 | kJ/mol | NIST |
| IE | 8.10 ± 0.02 | eV | NIST |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.662 | Crippen Calculated Property | |
| McVol | 146.510 | ml/mol | McGowan Calculated Property |
| Pc | 3022.28 | kPa | Joback Calculated Property |
| Inp | [238.20; 1449.00] |
|
|
| Inp | 1438.00 | NIST | |
| Inp | 1449.00 | NIST | |
| Inp | 1390.00 | NIST | |
| Inp | 1397.60 | NIST | |
| Inp | 1402.30 | NIST | |
| Inp | 1390.00 | NIST | |
| Inp | 1397.60 | NIST | |
| Inp | 1402.30 | NIST | |
| Inp | 1404.00 | NIST | |
| Inp | 1388.00 | NIST | |
| Inp | 255.70 | NIST | |
| Inp | 256.00 | NIST | |
| Inp | 239.57 | NIST | |
| Inp | 239.57 | NIST | |
| Inp | 239.99 | NIST | |
| Inp | 240.00 | NIST | |
| Inp | 239.84 | NIST | |
| Inp | 238.55 | NIST | |
| Inp | 255.41 | NIST | |
| Inp | 238.77 | NIST | |
| Inp | 263.90 | NIST | |
| Inp | 238.20 | NIST | |
| Inp | 238.77 | NIST | |
| Inp | 263.90 | NIST | |
| Inp | 1388.00 | NIST | |
| Inp | 1438.00 | NIST | |
| I | [1960.00; 2000.00] |
|
|
| I | 2000.00 | NIST | |
| I | 1960.00 | NIST | |
| I | 2000.00 | NIST | |
| Tboil | [528.50; 540.00] | K |
|
| Tboil | 528.70 | K | NIST |
| Tboil | Outlier 540.00 ± 3.00 | K | NIST |
| Tboil | 530.00 ± 4.00 | K | NIST |
| Tboil | 528.50 ± 1.00 | K | NIST |
| Tboil | 530.00 ± 4.00 | K | NIST |
| Tboil | 530.00 ± 4.00 | K | NIST |
| Tboil | 530.00 ± 4.00 | K | NIST |
| Tboil | 536.00 ± 4.00 | K | NIST |
| Tboil | 535.00 ± 4.00 | K | NIST |
| Tboil | 530.00 ± 5.00 | K | NIST |
| Tboil | 535.00 ± 5.00 | K | NIST |
| Tboil | 533.00 ± 5.00 | K | NIST |
| Tc | 777.74 | K | Relay (1.0) Calculated Property |
| Tfus | [272.95; 418.00] | K |
|
| Tfus | 272.95 ± 0.15 | K | NIST |
| Tfus | 418.00 | K | NIST |
| Tfus | 272.95 ± 0.10 | K | NIST |
| Tfus | 272.95 ± 0.10 | K | NIST |
| Vc | 0.549 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 65.23 | kJ/mol | 298.15 | Vapour pressures and enthalpies of vaporization of a series of the alkylbiphenyls |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.30; 449.92] | 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 | -6.24400e+01 | |||
| Coefficient B | 1.02152e+00 | |||
| Coefficient C | -6.78760e-04 | |||
| Coefficient D | 1.69600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 169.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 267.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 306.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 341.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 370.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 395.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 416.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 434.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 449.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017215; 0.0001815] | Pa×s | [309.21; 560.90] |
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 | -1.13776e+01 | |||
| Coefficient B | 1.55010e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 309.21 | |||
| Temperature range, max. | 560.90 | |||
| η | 0.0017215 | Pa×s | 309.21 | Calculated Property |
| η | 0.0011359 | Pa×s | 337.18 | Calculated Property |
| η | 0.0007988 | Pa×s | 365.14 | Calculated Property |
| η | 0.0005906 | Pa×s | 393.11 | Calculated Property |
| η | 0.0004545 | Pa×s | 421.07 | Calculated Property |
| η | 0.0003614 | Pa×s | 449.04 | Calculated Property |
| η | 0.0002952 | Pa×s | 477.00 | Calculated Property |
| η | 0.0002466 | Pa×s | 504.97 | Calculated Property |
| η | 0.0002099 | Pa×s | 532.93 | Calculated Property |
| η | 0.0001815 | Pa×s | 560.90 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [392.92; 566.97] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41095e+01 | |||
| Coefficient B | -4.21299e+03 | |||
| Coefficient C | -8.81150e+01 | |||
| Temperature range, min. | 392.92 | |||
| Temperature range, max. | 566.97 | |||
| Pvap | 1.33 | kPa | 392.92 | Calculated Property |
| Pvap | 3.04 | kPa | 412.26 | Calculated Property |
| Pvap | 6.32 | kPa | 431.60 | Calculated Property |
| Pvap | 12.16 | kPa | 450.94 | Calculated Property |
| Pvap | 21.88 | kPa | 470.28 | Calculated Property |
| Pvap | 37.20 | kPa | 489.61 | Calculated Property |
| Pvap | 60.25 | kPa | 508.95 | Calculated Property |
| Pvap | 93.54 | kPa | 528.29 | Calculated Property |
| Pvap | 139.93 | kPa | 547.63 | Calculated Property |
| Pvap | 202.64 | kPa | 566.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 2-methyl-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapour pressures and enthalpies of vaporization of a series of the alkylbiphenyls
- Study of critical and maximum temperatures of coexistence of liquid and gas phase in hydrocarbons binary mixtures of aromatic hydrocarbons with alkanes and cycloalkanes
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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