- InChI
- InChI=1S/C14H22O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
- InChI Key
- ZPIRTVJRHUMMOI-UHFFFAOYSA-N
- Formula
- C14H22O
- SMILES
- CCCCCCCCOc1ccccc1
- Molecular Weight1
- 206.32
- CAS
- 1818-07-1
- Other Names
-
- Ether, octyl phenyl
- Octyl 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).
- 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 | 0.6595 | Relay (1.0) Calculated Property | |
| ΔfG° | 74.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.426 | Crippen Calculated Property | |
| McVol | 190.230 | ml/mol | McGowan Calculated Property |
| Pc | 1978.82 | kPa | Joback Calculated Property |
| Tboil | 557.35 ± 1.00 | K | NIST |
| Tc | 745.72 | K | Relay (1.0) Calculated Property |
| Tfus | 281.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.727 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 438.70 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.62; 641.58] | 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 | -1.82430e+01 | |||
| Coefficient B | 1.19172e+00 | |||
| Coefficient C | -6.58000e-04 | |||
| Coefficient D | 1.26100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 260.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 326.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 385.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 438.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 485.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 526.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 561.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 592.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 619.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 641.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036156; 0.0001801] | Pa×s | [281.15; 533.14] |
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 | -1.19685e+01 | |||
| Coefficient B | 1.78419e+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. | 281.15 | |||
| Temperature range, max. | 533.14 | |||
| η | 0.0036156 | Pa×s | 281.15 | Calculated Property |
| η | 0.0020351 | Pa×s | 309.15 | Calculated Property |
| η | 0.0012602 | Pa×s | 337.15 | Calculated Property |
| η | 0.0008398 | Pa×s | 365.15 | Calculated Property |
| η | 0.0005930 | Pa×s | 393.15 | Calculated Property |
| η | 0.0004386 | Pa×s | 421.14 | Calculated Property |
| η | 0.0003368 | Pa×s | 449.14 | Calculated Property |
| η | 0.0002667 | Pa×s | 477.14 | Calculated Property |
| η | 0.0002168 | Pa×s | 505.14 | Calculated Property |
| η | 0.0001801 | Pa×s | 533.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (octyloxy)-.
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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