- InChI
- InChI=1S/C12H18O/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
- InChI Key
- KNRQFACTBMDELK-UHFFFAOYSA-N
- Formula
- C12H18O
- SMILES
- CCCCCCOc1ccccc1
- Molecular Weight1
- 178.27
- CAS
- 1132-66-7
- Other Names
-
- (Hexyloxy)benzene
- Ether, hexyl phenyl
- Hexyl phenyl ether
- n-Hexyl phenyl 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).
- 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 | 0.5695 | Relay (1.0) Calculated Property | |
| ΔfG° | 57.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.646 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2365.67 | kPa | Joback Calculated Property |
| Tboil | 510.91 | K | Relay (1.0) Calculated Property |
| Tc | 718.37 | K | Relay (1.0) Calculated Property |
| Tfus | 254.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.19; 538.39] | 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 | -1.64250e+01 | |||
| Coefficient B | 1.00172e+00 | |||
| Coefficient C | -5.49200e-04 | |||
| Coefficient D | 1.02300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 218.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 273.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 323.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 367.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 407.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 441.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 471.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 497.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 519.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 538.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043507; 0.0001926] | Pa×s | [254.15; 504.71] |
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 | -1.17167e+01 | |||
| Coefficient B | 1.59587e+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. | 254.15 | |||
| Temperature range, max. | 504.71 | |||
| η | 0.0043507 | Pa×s | 254.15 | Calculated Property |
| η | 0.0023406 | Pa×s | 281.99 | Calculated Property |
| η | 0.0014076 | Pa×s | 309.83 | Calculated Property |
| η | 0.0009205 | Pa×s | 337.67 | Calculated Property |
| η | 0.0006422 | Pa×s | 365.51 | Calculated Property |
| η | 0.0004715 | Pa×s | 393.35 | Calculated Property |
| η | 0.0003606 | Pa×s | 421.19 | Calculated Property |
| η | 0.0002851 | Pa×s | 449.03 | Calculated Property |
| η | 0.0002317 | Pa×s | 476.87 | Calculated Property |
| η | 0.0001926 | Pa×s | 504.71 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (hexyloxy)-.
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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