- InChI
- InChI=1S/C16H18/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3
- InChI Key
- NGCFVIRRWORSML-UHFFFAOYSA-N
- Formula
- C16H18
- SMILES
- CC(c1ccccc1)C(C)c1ccccc1
- Molecular Weight1
- 210.31
- CAS
- 5789-35-5
- Other Names
-
- 2,3-Diphenylbutane
- Bibenzyl, «alpha»,«alpha»'-dimethyl-
- Butane, 2,3-diphenyl-
- 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).
- 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).
- 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 | 0.4001 | Relay (1.0) Calculated Property | |
| ΔfG° | 303.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 105.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.594 | Crippen Calculated Property | |
| McVol | 188.780 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| Tboil | 577.20 ± 2.00 | K | NIST |
| Tc | 798.00 | K | Relay (1.0) Calculated Property |
| Tfus | [281.00; 286.00] | K |
|
| Tfus | 281.00 ± 3.00 | K | NIST |
| Tfus | 286.00 ± 3.00 | K | NIST |
| Vc | 0.686 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 96.70 | kJ/mol | 320.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.76; 608.81] | 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 | -8.28300e+01 | |||
| Coefficient B | 1.37784e+00 | |||
| Coefficient C | -9.15400e-04 | |||
| Coefficient D | 2.29200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 229.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 300.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 361.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 415.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 461.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 501.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 535.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 563.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 588.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 608.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055076; 0.0001431] | Pa×s | [283.50; 600.87] |
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 | -1.21134e+01 | |||
| Coefficient B | 1.95948e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 283.50 | |||
| Temperature range, max. | 600.87 | |||
| η | 0.0055076 | Pa×s | 283.50 | Calculated Property |
| η | 0.0025639 | Pa×s | 318.76 | Calculated Property |
| η | 0.0013899 | Pa×s | 354.03 | Calculated Property |
| η | 0.0008419 | Pa×s | 389.29 | Calculated Property |
| η | 0.0005542 | Pa×s | 424.55 | Calculated Property |
| η | 0.0003890 | Pa×s | 459.81 | Calculated Property |
| η | 0.0002872 | Pa×s | 495.08 | Calculated Property |
| η | 0.0002207 | Pa×s | 530.34 | Calculated Property |
| η | 0.0001753 | Pa×s | 565.60 | Calculated Property |
| η | 0.0001431 | Pa×s | 600.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-(1,2-dimethyl-1,2-ethanediyl)bis-.
Sources
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