- InChI
- InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3
- InChI Key
- NTDQQZYCCIDJRK-UHFFFAOYSA-N
- Formula
- C14H22O
- SMILES
- CCCCCCCCc1ccc(O)cc1
- Molecular Weight1
- 206.32
- CAS
- 1806-26-4
- Other Names
-
- 1-(p-Hydroxyphenyl)octane
- 4-Octylphenol
- 4-n-Octylphenol
- Phenol, p-octyl-
- p-Octylphenol
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 | 0.7718 | Relay (1.0) Calculated Property | |
| ΔfG° | 24.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.295 | Crippen Calculated Property | |
| McVol | 190.230 | ml/mol | McGowan Calculated Property |
| Pc | 2306.95 | kPa | Joback Calculated Property |
| Inp | [1768.10; 1809.00] |
|
|
| Inp | Outlier 1809.00 | NIST | |
| Inp | 1768.10 | NIST | |
| Inp | 1772.30 | NIST | |
| Inp | 1778.20 | NIST | |
| Inp | 1784.00 | NIST | |
| Inp | 1768.10 | NIST | |
| Tboil | 587.41 | K | Relay (1.0) Calculated Property |
| Tc | 785.06 | K | Relay (1.0) Calculated Property |
| Tfus | 318.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.704 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.42; 590.99] | J/mol×K | [627.02; 831.64] |
|
| Cp,gas | 505.42 | J/mol×K | 627.02 | Joback Calculated Property |
| Cp,gas | 521.77 | J/mol×K | 661.12 | Joback Calculated Property |
| Cp,gas | 537.19 | J/mol×K | 695.23 | Joback Calculated Property |
| Cp,gas | 551.75 | J/mol×K | 729.33 | Joback Calculated Property |
| Cp,gas | 565.52 | J/mol×K | 763.43 | Joback Calculated Property |
| Cp,gas | 578.57 | J/mol×K | 797.54 | Joback Calculated Property |
| Cp,gas | 590.99 | J/mol×K | 831.64 | Joback Calculated Property |
| η | [0.0000243; 0.0015682] | Pa×s | [385.68; 627.02] |
|
| η | 0.0015682 | Pa×s | 385.68 | Joback Calculated Property |
| η | 0.0005642 | Pa×s | 425.90 | Joback Calculated Property |
| η | 0.0002421 | Pa×s | 466.13 | Joback Calculated Property |
| η | 0.0001189 | Pa×s | 506.35 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 546.57 | Joback Calculated Property |
| η | 0.0000384 | Pa×s | 586.80 | Joback Calculated Property |
| η | 0.0000243 | Pa×s | 627.02 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [412.00; 590.27] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43500e+01 | |||
| Coefficient B | -4.51024e+03 | |||
| Coefficient C | -9.12700e+01 | |||
| Temperature range, min. | 412.00 | |||
| Temperature range, max. | 590.27 | |||
| Pvap | 1.33 | kPa | 412.00 | Calculated Property |
| Pvap | 3.02 | kPa | 431.81 | Calculated Property |
| Pvap | 6.26 | kPa | 451.62 | Calculated Property |
| Pvap | 12.01 | kPa | 471.42 | Calculated Property |
| Pvap | 21.61 | kPa | 491.23 | Calculated Property |
| Pvap | 36.80 | kPa | 511.04 | Calculated Property |
| Pvap | 59.72 | kPa | 530.85 | Calculated Property |
| Pvap | 92.94 | kPa | 550.65 | Calculated Property |
| Pvap | 139.47 | kPa | 570.46 | Calculated Property |
| Pvap | 202.65 | kPa | 590.27 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-octyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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property mean.