- InChI
- InChI=1S/C16H18/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
- InChI Key
- GLJFYGFBITUZOE-UHFFFAOYSA-N
- Formula
- C16H18
- SMILES
- c1ccc(CCCCc2ccccc2)cc1
- Molecular Weight1
- 210.31
- CAS
- 1083-56-3
- Other Names
-
- 1,4-Diphenyl-n-butane
- 1,4-Diphenylbutane
- Butane, 1,4-diphenyl-
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid 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).
- 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.
- Ip : 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 | 0.5401 | Relay (1.0) Calculated Property | |
| PAff | 822.00 | kJ/mol | NIST |
| BasG | 779.80 | kJ/mol | NIST |
| ΔcH°solid | [-9121.10; -8858.70] | kJ/mol |
|
| ΔcH°solid | -8858.70 ± 2.00 | kJ/mol | NIST |
| ΔcH°solid | -8912.00 | kJ/mol | NIST |
| ΔcH°solid | -9121.10 | kJ/mol | NIST |
| ΔfG° | 308.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 127.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.252 | Crippen Calculated Property | |
| McVol | 188.780 | ml/mol | McGowan Calculated Property |
| Pc | 2284.95 | kPa | Joback Calculated Property |
| Inp | [1742.90; 1793.00] |
|
|
| Inp | 1780.00 | NIST | |
| Inp | 1793.00 | NIST | |
| Inp | 1742.90 | NIST | |
| Inp | 1756.00 | NIST | |
| Inp | 1780.00 | NIST | |
| Inp | 1756.00 | NIST | |
| Ip | [2355.00; 2398.00] |
|
|
| Ip | 2398.00 | NIST | |
| Ip | 2355.00 | NIST | |
| Ip | 2398.00 | NIST | |
| Tboil | [589.06; 590.20] | K |
|
| Tboil | 590.20 | K | NIST |
| Tboil | 589.06 ± 0.20 | K | NIST |
| Tboil | 589.06 ± 0.20 | K | NIST |
| Tc | 808.33 | K | Relay (1.0) Calculated Property |
| Tfus | [325.00; 330.00] | K |
|
| Tfus | 325.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 326.00 ± 3.00 | K | NIST |
| Tfus | 326.00 ± 3.00 | K | NIST |
| Tfus | 325.00 ± 3.00 | K | NIST |
| Tfus | 325.70 ± 0.40 | K | NIST |
| Tfus | Outlier 330.00 ± 4.00 | K | NIST |
| Tfus | 325.42 ± 0.10 | K | NIST |
| Tfus | 325.40 ± 4.00 | K | NIST |
| Tfus | 325.00 ± 2.00 | K | NIST |
| Tfus | 325.70 ± 1.50 | K | NIST |
| Vc | 0.724 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.39; 607.73] | 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 | -7.94660e+01 | |||
| Coefficient B | 1.36600e+00 | |||
| Coefficient C | -9.09000e-04 | |||
| Coefficient D | 2.30200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 230.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 300.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 361.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 414.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 460.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 500.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 533.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 562.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 586.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 607.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023377; 0.0001706] | Pa×s | [325.54; 594.40] |
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 | -1.18454e+01 | |||
| Coefficient B | 1.88384e+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. | 325.54 | |||
| Temperature range, max. | 594.40 | |||
| η | 0.0023377 | Pa×s | 325.54 | Calculated Property |
| η | 0.0014373 | Pa×s | 355.41 | Calculated Property |
| η | 0.0009530 | Pa×s | 385.29 | Calculated Property |
| η | 0.0006703 | Pa×s | 415.16 | Calculated Property |
| η | 0.0004943 | Pa×s | 445.04 | Calculated Property |
| η | 0.0003787 | Pa×s | 474.91 | Calculated Property |
| η | 0.0002995 | Pa×s | 504.78 | Calculated Property |
| η | 0.0002431 | Pa×s | 534.66 | Calculated Property |
| η | 0.0002018 | Pa×s | 564.53 | Calculated Property |
| η | 0.0001706 | Pa×s | 594.40 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [441.02; 627.32] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43669e+01 | |||
| Coefficient B | -4.72796e+03 | |||
| Coefficient C | -1.05212e+02 | |||
| Temperature range, min. | 441.02 | |||
| Temperature range, max. | 627.32 | |||
| Pvap | 1.33 | kPa | 441.02 | Calculated Property |
| Pvap | 3.02 | kPa | 461.72 | Calculated Property |
| Pvap | 6.25 | kPa | 482.42 | Calculated Property |
| Pvap | 12.00 | kPa | 503.12 | Calculated Property |
| Pvap | 21.60 | kPa | 523.82 | Calculated Property |
| Pvap | 36.77 | kPa | 544.52 | Calculated Property |
| Pvap | 59.68 | kPa | 565.22 | Calculated Property |
| Pvap | 92.90 | kPa | 585.92 | Calculated Property |
| Pvap | 139.43 | kPa | 606.62 | Calculated Property |
| Pvap | 202.64 | kPa | 627.32 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-(1,4-butanediyl)bis-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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