- InChI
- InChI=1S/C14H22O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
- InChI Key
- ZROGCHDPRZRKTI-UHFFFAOYSA-N
- Formula
- C14H22O2
- SMILES
- CCCCOc1ccc(OCCCC)cc1
- Molecular Weight1
- 222.32
- CAS
- 104-36-9
- Other Names
-
- 1,4-Dibutoxybenzene
- Benzene, p-dibutoxy-
- p-Dibutoxybenzene
- 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).
- 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 | 0.7140 | Relay (1.0) Calculated Property | |
| ΔfG° | -40.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.044 | Crippen Calculated Property | |
| McVol | 196.100 | ml/mol | McGowan Calculated Property |
| Pc | 1923.67 | kPa | Joback Calculated Property |
| Tboil | 566.89 | K | Relay (1.0) Calculated Property |
| Tc | 747.27 | K | Relay (1.0) Calculated Property |
| Tfus | 318.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.753 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.58; 657.04] | 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 | 2.15560e+01 | |||
| Coefficient B | 1.06904e+00 | |||
| Coefficient C | -4.79960e-04 | |||
| Coefficient D | 4.64000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 278.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 341.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 399.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 451.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 498.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 539.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 576.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 607.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 634.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 657.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017219; 0.0001470] | Pa×s | [318.65; 551.99] |
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 | -1.21858e+01 | |||
| Coefficient B | 1.85502e+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. | 318.65 | |||
| Temperature range, max. | 551.99 | |||
| η | 0.0017219 | Pa×s | 318.65 | Calculated Property |
| η | 0.0011111 | Pa×s | 344.58 | Calculated Property |
| η | 0.0007624 | Pa×s | 370.50 | Calculated Property |
| η | 0.0005495 | Pa×s | 396.43 | Calculated Property |
| η | 0.0004123 | Pa×s | 422.36 | Calculated Property |
| η | 0.0003198 | Pa×s | 448.28 | Calculated Property |
| η | 0.0002551 | Pa×s | 474.21 | Calculated Property |
| η | 0.0002082 | Pa×s | 500.14 | Calculated Property |
| η | 0.0001734 | Pa×s | 526.07 | Calculated Property |
| η | 0.0001470 | Pa×s | 551.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,4-dibutoxy-.
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
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