- InChI
- InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-12H,13-14H2/b8-7+
- InChI Key
- CTYOBVWQEXIGRQ-BQYQJAHWSA-N
- Formula
- C16H16
- SMILES
- C(=CCc1ccccc1)Cc1ccccc1
- Molecular Weight1
- 208.30
- CAS
- 13657-49-3
- 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.
- 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 | 0.4076 | Relay (1.0) Calculated Property | |
| ΔfG° | 388.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 234.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.028 | Crippen Calculated Property | |
| McVol | 184.480 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Inp | [1731.60; 1800.00] |
|
|
| Inp | 1731.60 | NIST | |
| Inp | 1800.00 | NIST | |
| Tboil | 580.30 | K | Relay (1.0) Calculated Property |
| Tc | 800.30 | K | Relay (1.0) Calculated Property |
| Tfus | 318.40 ± 2.00 | K | NIST |
| Vc | 0.680 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.39; 577.15] | 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 | -9.36480e+01 | |||
| Coefficient B | 1.38600e+00 | |||
| Coefficient C | -9.92800e-04 | |||
| Coefficient D | 2.77600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 284.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 343.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 394.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 438.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 475.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 507.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 534.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 557.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 577.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022450; 0.0001415] | Pa×s | [318.40; 604.41] |
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 | -1.19410e+01 | |||
| Coefficient B | 1.86008e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 318.40 | |||
| Temperature range, max. | 604.41 | |||
| η | 0.0022450 | Pa×s | 318.40 | Calculated Property |
| η | 0.0013212 | Pa×s | 350.18 | Calculated Property |
| η | 0.0008493 | Pa×s | 381.96 | Calculated Property |
| η | 0.0005842 | Pa×s | 413.74 | Calculated Property |
| η | 0.0004239 | Pa×s | 445.52 | Calculated Property |
| η | 0.0003211 | Pa×s | 477.30 | Calculated Property |
| η | 0.0002517 | Pa×s | 509.08 | Calculated Property |
| η | 0.0002031 | Pa×s | 540.86 | Calculated Property |
| η | 0.0001678 | Pa×s | 572.63 | Calculated Property |
| η | 0.0001415 | Pa×s | 604.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-(2-butene-1,4-diyl)bis-.
Sources
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