- InChI
- InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3
- InChI Key
- GVEDOIATHPCYGS-UHFFFAOYSA-N
- Formula
- C14H14
- SMILES
- Cc1cccc(-c2cccc(C)c2)c1
- Molecular Weight1
- 182.26
- CAS
- 612-75-9
- Other Names
-
- 1,1'-Biphenyl, 3,3'-dimethyl-
- 1-Methyl-3-(3'-methylphenyl)benzene
- 3,3'-Dimethyl-1,1'-biphenyl
- 3,3'-Dimethyldiphenyl
- 3,3'-Ditolyl
- 3,3-Dimethyldiphenyl
- Biphenyl, 3,3'-dimethyl-
- m,m'-Bitolyl
- 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).
- ΔsubH° : Enthalpy of sublimation 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.
- 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 |
|---|---|---|---|
| ΔcH°liquid | -7529.90 ± 7.50 | kJ/mol | NIST |
| 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 |
| ΔsubH° | 71.90 | kJ/mol | NIST |
| ΔvapH° | 71.90 | kJ/mol | NIST |
| IE | [7.85; 8.70] | eV |
|
| IE | 8.70 ± 0.05 | eV | NIST |
| IE | 7.85 ± 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 | [270.79; 1597.00] |
|
|
| Inp | 1591.00 | NIST | |
| Inp | 1589.00 | NIST | |
| Inp | 1588.60 | NIST | |
| Inp | 1580.20 | NIST | |
| Inp | 1589.00 | NIST | |
| Inp | 1594.20 | NIST | |
| Inp | 1589.00 | NIST | |
| Inp | 1588.60 | NIST | |
| Inp | 1580.20 | NIST | |
| Inp | 1589.00 | NIST | |
| Inp | 1594.20 | NIST | |
| Inp | 1597.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1580.00 | NIST | |
| Inp | 1594.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | 271.27 | NIST | |
| Inp | 270.79 | NIST | |
| Inp | 271.87 | NIST | |
| Inp | 271.87 | NIST | |
| Inp | 271.87 | NIST | |
| I | [2208.00; 2254.00] |
|
|
| I | 2254.00 | NIST | |
| I | 2212.00 | NIST | |
| I | 2209.00 | NIST | |
| I | 2209.00 | NIST | |
| I | 2208.00 | NIST | |
| I | 2254.00 | NIST | |
| Tboil | [556.00; 562.00] | K |
|
| Tboil | 559.00 ± 8.00 | K | NIST |
| Tboil | 556.00 ± 3.00 | K | NIST |
| Tboil | 559.00 ± 3.00 | K | NIST |
| Tboil | 561.00 ± 5.00 | K | NIST |
| Tboil | 562.00 ± 5.00 | K | NIST |
| Tc | 824.77 | K | Joback Calculated Property |
| Tfus | [278.00; 282.40] | K |
|
| Tfus | 278.00 ± 3.00 | K | NIST |
| Tfus | 282.40 ± 1.50 | K | NIST |
| Tfus | 279.00 ± 3.00 | 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 |
| 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [423.20; 559.20] | K | [2.40; 95.10] |
|
| Tboilr | 423.20 | K | 2.40 | NIST |
| Tboilr | 559.20 | K | 95.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [417.32; 594.18] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44220e+01 | |||
| Coefficient B | -4.53327e+03 | |||
| Coefficient C | -9.65940e+01 | |||
| Temperature range, min. | 417.32 | |||
| Temperature range, max. | 594.18 | |||
| Pvap | 1.33 | kPa | 417.32 | Calculated Property |
| Pvap | 3.02 | kPa | 436.97 | Calculated Property |
| Pvap | 6.24 | kPa | 456.62 | Calculated Property |
| Pvap | 11.97 | kPa | 476.27 | Calculated Property |
| Pvap | 21.54 | kPa | 495.92 | Calculated Property |
| Pvap | 36.68 | kPa | 515.58 | Calculated Property |
| Pvap | 59.56 | kPa | 535.23 | Calculated Property |
| Pvap | 92.77 | kPa | 554.88 | Calculated Property |
| Pvap | 139.33 | kPa | 574.53 | Calculated Property |
| Pvap | 202.64 | kPa | 594.18 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,3'-Dimethylbiphenyl.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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