- InChI
- InChI=1S/C14H14/c1-11-7-6-8-12(2)14(11)13-9-4-3-5-10-13/h3-10H,1-2H3
- InChI Key
- BGXRAGCQZCSMOT-UHFFFAOYSA-N
- Formula
- C14H14
- SMILES
- Cc1cccc(C)c1-c1ccccc1
- Molecular Weight1
- 182.26
- CAS
- 3976-34-9
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4253 | Relay (1.0) Calculated Property | |
| ΔfG° | 272.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 153.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.60 | 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 | [1465.00; 1477.00] |
|
|
| Inp | 1465.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1465.00 | NIST | |
| I | [1948.00; 1983.00] |
|
|
| I | 1983.00 | NIST | |
| I | 1948.00 | NIST | |
| Tboil | [535.70; 536.00] | K |
|
| Tboil | 535.70 | K | NIST |
| Tboil | 536.00 ± 5.00 | K | NIST |
| Tc | 788.71 | K | Relay (1.0) Calculated Property |
| Tfus | 268.00 ± 3.00 | K | NIST |
| Vc | 0.593 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 405.20 | K | 2.10 | 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 | [0.0042599; 0.0001761] | Pa×s | [268.00; 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 | |||
| Temperature range, min. | 268.00 | |||
| Temperature range, max. | 577.54 | |||
| η | 0.0042599 | Pa×s | 268.00 | Calculated Property |
| η | 0.0021667 | Pa×s | 302.39 | Calculated Property |
| η | 0.0012652 | Pa×s | 336.79 | Calculated Property |
| η | 0.0008162 | Pa×s | 371.18 | Calculated Property |
| η | 0.0005672 | Pa×s | 405.57 | Calculated Property |
| η | 0.0004173 | Pa×s | 439.96 | Calculated Property |
| η | 0.0003209 | Pa×s | 474.36 | Calculated Property |
| η | 0.0002557 | Pa×s | 508.75 | Calculated Property |
| η | 0.0002097 | Pa×s | 543.14 | Calculated Property |
| η | 0.0001761 | Pa×s | 577.54 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 2,6-dimethyl-.
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