- InChI
- InChI=1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3
- InChI Key
- NPDIDUXTRAITDE-UHFFFAOYSA-N
- Formula
- C13H12
- SMILES
- Cc1cccc(-c2ccccc2)c1
- Molecular Weight1
- 168.23
- CAS
- 643-93-6
- Other Names
-
- (3-Methylphenyl)benzene
- 1-methyl-3-phenylbenzene
- 3-Methyl-1,1'-biphenyl
- 3-Methylbiphenyl
- 3-Methyldiphenyl
- 3-Phenyltoluene
- Biphenyl, 3-methyl-
- m-Methylbiphenyl
- m-Phenyltoluene
- 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).
- 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).
- 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 |
|---|---|---|---|
| PAff | 828.00 | kJ/mol | NIST |
| BasG | 795.50 | kJ/mol | NIST |
| ΔcH°liquid | -6916.20 ± 7.10 | kJ/mol | NIST |
| ΔfG° | 273.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 149.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.60 | kJ/mol | NIST |
| IE | 7.95 ± 0.02 | eV | NIST |
| log10WS | -4.55 | Crippen 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 | [254.00; 1490.00] |
|
|
| Inp | 1478.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Inp | 1464.40 | NIST | |
| Inp | 1475.60 | NIST | |
| Inp | 1474.50 | NIST | |
| Inp | 1483.50 | NIST | |
| Inp | 1487.70 | NIST | |
| Inp | 1474.50 | NIST | |
| Inp | 1483.50 | NIST | |
| Inp | 1487.70 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1464.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 255.91 | NIST | |
| Inp | 254.57 | NIST | |
| Inp | 254.70 | NIST | |
| Inp | 254.33 | NIST | |
| Inp | 256.69 | NIST | |
| Inp | 254.81 | NIST | |
| Inp | 263.90 | NIST | |
| Inp | 254.00 | NIST | |
| Inp | 263.90 | NIST | |
| Inp | 255.91 | NIST | |
| Inp | 254.81 | NIST | |
| Inp | 1474.50 | NIST | |
| Inp | 1487.70 | NIST | |
| Inp | 1464.00 | NIST | |
| I | [2102.00; 2120.00] |
|
|
| I | 2120.00 | NIST | |
| I | 2102.00 | NIST | |
| I | 2102.00 | NIST | |
| I | 2104.00 | NIST | |
| Tboil | [541.00; 548.00] | K |
|
| Tboil | 545.90 | K | NIST |
| Tboil | 543.00 ± 3.00 | K | NIST |
| Tboil | 545.85 ± 1.00 | K | NIST |
| Tboil | 541.00 ± 4.00 | K | NIST |
| Tboil | 541.00 ± 4.00 | K | NIST |
| Tboil | 546.00 ± 4.00 | K | NIST |
| Tboil | 544.00 ± 4.00 | K | NIST |
| Tboil | 543.00 ± 5.00 | K | NIST |
| Tboil | 548.00 ± 5.00 | K | NIST |
| Tc | 800.99 | K | Joback Calculated Property |
| Tfus | [277.68; 296.00] | K |
|
| Tfus | 277.68 ± 0.10 | K | NIST |
| Tfus | 296.00 ± 2.00 | K | NIST |
| Vc | 0.547 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.50; 407.46] | J/mol×K | [555.18; 800.99] |
|
| Cp,gas | 324.50 | J/mol×K | 555.18 | Joback Calculated Property |
| Cp,gas | 341.24 | J/mol×K | 596.15 | Joback Calculated Property |
| Cp,gas | 356.73 | J/mol×K | 637.12 | Joback Calculated Property |
| Cp,gas | 371.02 | J/mol×K | 678.09 | Joback Calculated Property |
| Cp,gas | 384.20 | J/mol×K | 719.06 | Joback Calculated Property |
| Cp,gas | 396.32 | J/mol×K | 760.03 | Joback Calculated Property |
| Cp,gas | 407.46 | J/mol×K | 800.99 | Joback Calculated Property |
| η | [0.0001868; 0.0019527] | Pa×s | [301.63; 555.18] |
|
| η | 0.0019527 | Pa×s | 301.63 | Joback Calculated Property |
| η | 0.0010384 | Pa×s | 343.89 | Joback Calculated Property |
| η | 0.0006341 | Pa×s | 386.15 | Joback Calculated Property |
| η | 0.0004268 | Pa×s | 428.40 | Joback Calculated Property |
| η | 0.0003084 | Pa×s | 470.66 | Joback Calculated Property |
| η | 0.0002351 | Pa×s | 512.92 | Joback Calculated Property |
| η | 0.0001868 | Pa×s | 555.18 | Joback Calculated Property |
| ΔvapH | 68.45 | kJ/mol | 298.15 | Vapour ... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 422.20 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [406.68; 577.98] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45143e+01 | |||
| Coefficient B | -4.46411e+03 | |||
| Coefficient C | -9.28960e+01 | |||
| Temperature range, min. | 406.68 | |||
| Temperature range, max. | 577.98 | |||
| Pvap | 1.33 | kPa | 406.68 | Calculated Property |
| Pvap | 3.01 | kPa | 425.71 | Calculated Property |
| Pvap | 6.21 | kPa | 444.75 | Calculated Property |
| Pvap | 11.92 | kPa | 463.78 | Calculated Property |
| Pvap | 21.44 | kPa | 482.81 | Calculated Property |
| Pvap | 36.54 | kPa | 501.85 | Calculated Property |
| Pvap | 59.37 | kPa | 520.88 | Calculated Property |
| Pvap | 92.56 | kPa | 539.91 | Calculated Property |
| Pvap | 139.17 | kPa | 558.95 | Calculated Property |
| Pvap | 202.67 | kPa | 577.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Vapour pressures and enthalpies of vaporization of a series of the alkylbiphenyls
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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