![Benzene, 1,1'-[oxybis(methylene)]bis-](/cid/69-075-3/Benzene-1-1-oxybis-methylene-bis.png "Benzene, 1,1'-[oxybis(methylene)]bis-")
- InChI
- InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
- InChI Key
- MHDVGSVTJDSBDK-UHFFFAOYSA-N
- Formula
- C14H14O
- SMILES
- c1ccc(COCc2ccccc2)cc1
- Molecular Weight1
- 198.26
- CAS
- 103-50-4
- Other Names
-
- BA
- BA (Plasticizer)
- Benzyl ether
- Benzyl oxide
- Plastikator BA
- benzene, 1,1'-[oxybis(methylene)]-bis-
- bis(phenylmethyl) ether
- dibenzyl ether
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.5070 | Relay (1.0) Calculated Property | |
| ΔfG° | 186.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 11.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.50; 9.17] | eV |
|
| IE | 8.50 | eV | NIST |
| IE | 9.17 | eV | NIST |
| log10WS | -3.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.403 | Crippen Calculated Property | |
| McVol | 166.470 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Inp | [281.19; 1676.00] |
|
|
| Inp | 1616.20 | NIST | |
| Inp | 1650.30 | NIST | |
| Inp | 1649.70 | NIST | |
| Inp | 1641.40 | NIST | |
| Inp | 1650.30 | NIST | |
| Inp | 1656.90 | NIST | |
| Inp | 1620.20 | NIST | |
| Inp | 1641.40 | NIST | |
| Inp | 1650.30 | NIST | |
| Inp | 1656.90 | NIST | |
| Inp | 1650.30 | NIST | |
| Inp | 1649.70 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1676.00 | NIST | |
| Inp | 1676.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Inp | Outlier 281.19 | NIST | |
| Inp | 1669.00 | NIST | |
| Ip | [2323.00; 2356.00] |
|
|
| Ip | 2323.00 | NIST | |
| Ip | 2356.00 | NIST | |
| Tboil | [273.15; 571.20] | K |
|
| Tboil | 571.20 | K | NIST |
| Tboil | 273.15 ± 3.00 | K | NIST |
| Tc | 812.06 | K | Relay (1.0) Calculated Property |
| Tfus | [276.75; 293.00] | K |
|
| Tfus | 276.75 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 293.00 ± 2.00 | K | NIST |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [45.60; 59.40] | kJ/mol | [346.00; 437.00] |
|
| ΔvapH | 45.60 | kJ/mol | 346.00 | NIST |
| ΔvapH | 59.40 | kJ/mol | 437.00 | NIST |
| ρl | [1039.32; 1039.32] | kg/m3 | [298.00; 298.20] |
|
| ρl | 1039.32 | kg/m3 | 298.00 | Optimization of liquid-liquid equilibria of the type 2 ternary systems (water + valeric acid + aromatic solvent): Modeling through SERLAS |
| ρl | 1039.32 | kg/m3 | 298.20 | Optimization and modeling of extraction equilibria of the type 2 ternary systems containing (water + isovaleric acid + solvent) |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 432.00 ± 1.00 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.37; 523.05] | 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 | -5.21480e+01 | |||
| Coefficient B | 1.11280e+00 | |||
| Coefficient C | -6.89200e-04 | |||
| Coefficient D | 1.51600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 203.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 261.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 313.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 359.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 398.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 432.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 461.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 485.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 506.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 523.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040380; 0.0001552] | Pa×s | [284.88; 582.29] |
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 | -1.18924e+01 | |||
| Coefficient B | 1.81761e+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. | 284.88 | |||
| Temperature range, max. | 582.29 | |||
| η | 0.0040380 | Pa×s | 284.88 | Calculated Property |
| η | 0.0020804 | Pa×s | 317.92 | Calculated Property |
| η | 0.0012144 | Pa×s | 350.97 | Calculated Property |
| η | 0.0007777 | Pa×s | 384.01 | Calculated Property |
| η | 0.0005345 | Pa×s | 417.06 | Calculated Property |
| η | 0.0003881 | Pa×s | 450.10 | Calculated Property |
| η | 0.0002945 | Pa×s | 483.15 | Calculated Property |
| η | 0.0002314 | Pa×s | 516.19 | Calculated Property |
| η | 0.0001872 | Pa×s | 549.24 | Calculated Property |
| η | 0.0001552 | Pa×s | 582.29 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [422.29; 608.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41951e+01 | |||
| Coefficient B | -4.57958e+03 | |||
| Coefficient C | -9.30050e+01 | |||
| Temperature range, min. | 422.29 | |||
| Temperature range, max. | 608.51 | |||
| Pvap | 1.33 | kPa | 422.29 | Calculated Property |
| Pvap | 3.03 | kPa | 442.98 | Calculated Property |
| Pvap | 6.30 | kPa | 463.67 | Calculated Property |
| Pvap | 12.10 | kPa | 484.36 | Calculated Property |
| Pvap | 21.78 | kPa | 505.05 | Calculated Property |
| Pvap | 37.06 | kPa | 525.75 | Calculated Property |
| Pvap | 60.06 | kPa | 546.44 | Calculated Property |
| Pvap | 93.33 | kPa | 567.13 | Calculated Property |
| Pvap | 139.77 | kPa | 587.82 | Calculated Property |
| Pvap | 202.65 | kPa | 608.51 | Calculated Property |
| Pvap | [1.14e-04; 2485.80] | kPa | [275.15; 777.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | -4.76036e+01 | |||
| Coefficient B | -4.63994e+03 | |||
| Coefficient C | 9.97049e+00 | |||
| Coefficient D | -8.22302e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 275.15 | |||
| Temperature range, max. | 777.00 | |||
| Pvap | 1.14e-04 | kPa | 275.15 | Calculated Property |
| Pvap | 9.29e-03 | kPa | 330.91 | Calculated Property |
| Pvap | 0.24 | kPa | 386.67 | Calculated Property |
| Pvap | 2.84 | kPa | 442.43 | Calculated Property |
| Pvap | 19.46 | kPa | 498.19 | Calculated Property |
| Pvap | 88.36 | kPa | 553.96 | Calculated Property |
| Pvap | 290.09 | kPa | 609.72 | Calculated Property |
| Pvap | 731.91 | kPa | 665.48 | Calculated Property |
| Pvap | 1482.00 | kPa | 721.24 | Calculated Property |
| Pvap | 2485.80 | kPa | 777.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-[oxybis(methylene)]bis-.
Mixtures
- Pentanoic acid + Benzene, 1,1'-[oxybis(methylene)]bis- + Water
- Benzene, 1,1'-[oxybis(methylene)]bis- + Water
- Tetrahydrofuran + Benzene, 1,1'-[oxybis(methylene)]bis- + Water
- Butanoic acid, 3-methyl- + Benzene, 1,1'-[oxybis(methylene)]bis- + Water
Sources
- KDB Vapor Pressure Data
- 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
- Optimization of liquid-liquid equilibria of the type 2 ternary systems (water + valeric acid + aromatic solvent): Modeling through SERLAS
- Phase equilibria for ternary liquid systems of (water + tetrahydrofuran + nonprotic aromatic solvent) at T = 298.2 K
- Optimization and modeling of extraction equilibria of the type 2 ternary systems containing (water + isovaleric acid + solvent)
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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