- InChI
- InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3
- InChI Key
- CYYZDBDROVLTJU-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- CCCCc1ccc(O)cc1
- Molecular Weight1
- 150.22
- CAS
- 1638-22-8
- Other Names
-
- 1-(p-Hydroxyphenyl)butane
- 1-Hydroxy-4-n-butylbenzene
- 4-Butylphenol
- 4-n-Butylphenol
- NSC 407848
- Phenol, p-butyl-
- p-Butylphenol
- p-Hydroxybutylbenzene
- p-n-Butylphenol
- 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- 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 | 0.6071 | Relay (1.0) Calculated Property | |
| ΔfG° | -8.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -174.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 ± 0.10 | eV | NIST |
| log10WS | -2.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.735 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3468.36 | kPa | Joback Calculated Property |
| Inp | [1335.00; 1386.00] |
|
|
| Inp | 1335.00 | NIST | |
| Inp | 1360.60 | NIST | |
| Inp | 1361.80 | NIST | |
| Inp | 1364.40 | NIST | |
| Inp | 1386.00 | NIST | |
| Inp | 1360.60 | NIST | |
| Inp | 1335.00 | NIST | |
| Ip | 2360.00 | NIST | |
| Tboil | [512.65; 521.20] | K |
|
| Tboil | 521.20 | K | NIST |
| Tboil | 518.15 ± 3.00 | K | NIST |
| Tboil | 519.65 ± 3.00 | K | NIST |
| Tboil | 521.15 ± 3.00 | K | NIST |
| Tboil | 521.15 ± 3.00 | K | NIST |
| Tboil | 512.65 ± 3.00 | K | NIST |
| Tboil | 516.15 ± 4.00 | K | NIST |
| Tboil | 513.15 ± 3.00 | K | NIST |
| Tboil | 518.15 ± 5.00 | K | NIST |
| Tboil | 521.15 ± 3.00 | K | NIST |
| Tboil | 521.15 ± 3.00 | K | NIST |
| Tc | 730.41 | K | Relay (1.0) Calculated Property |
| Tfus | [285.15; 295.15] | K |
|
| Tfus | 295.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 293.65 ± 2.00 | K | NIST |
| Tfus | 295.15 ± 2.00 | K | NIST |
| Tfus | 295.15 ± 2.00 | K | NIST |
| Tfus | Outlier 285.15 ± 1.00 | K | NIST |
| Tfus | 295.15 ± 2.00 | K | NIST |
| Vc | 0.473 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [49.90; 61.70] | kJ/mol | [443.00; 524.00] |
|
| ΔvapH | 57.60 | kJ/mol | 443.00 | NIST |
| ΔvapH | 56.60 | kJ/mol | 443.00 | NIST |
| ΔvapH | 54.40 | kJ/mol | 443.00 | NIST |
| ΔvapH | 49.90 | kJ/mol | 443.00 | NIST |
| ΔvapH | 61.70 | kJ/mol | 524.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 398.70 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.25; 439.13] | 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 | -4.90270e+01 | |||
| Coefficient B | 1.02952e+00 | |||
| Coefficient C | -8.07760e-04 | |||
| Coefficient D | 2.66400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 177.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 225.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 267.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 303.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 334.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 360.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 383.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 403.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 421.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 439.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0198024; 0.0000671] | Pa×s | [294.85; 527.91] |
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 | -1.68039e+01 | |||
| Coefficient B | 3.79824e+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. | 294.85 | |||
| Temperature range, max. | 527.91 | |||
| η | 0.0198024 | Pa×s | 294.85 | Calculated Property |
| η | 0.0069991 | Pa×s | 320.75 | Calculated Property |
| η | 0.0028897 | Pa×s | 346.64 | Calculated Property |
| η | 0.0013492 | Pa×s | 372.54 | Calculated Property |
| η | 0.0006955 | Pa×s | 398.43 | Calculated Property |
| η | 0.0003887 | Pa×s | 424.33 | Calculated Property |
| η | 0.0002323 | Pa×s | 450.22 | Calculated Property |
| η | 0.0001468 | Pa×s | 476.12 | Calculated Property |
| η | 0.0000973 | Pa×s | 502.01 | Calculated Property |
| η | 0.0000671 | Pa×s | 527.91 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [396.92; 550.88] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54562e+01 | |||
| Coefficient B | -4.71576e+03 | |||
| Coefficient C | -8.60300e+01 | |||
| Temperature range, min. | 396.92 | |||
| Temperature range, max. | 550.88 | |||
| Pvap | 1.33 | kPa | 396.92 | Calculated Property |
| Pvap | 2.94 | kPa | 414.03 | Calculated Property |
| Pvap | 6.00 | kPa | 431.13 | Calculated Property |
| Pvap | 11.44 | kPa | 448.24 | Calculated Property |
| Pvap | 20.57 | kPa | 465.35 | Calculated Property |
| Pvap | 35.18 | kPa | 482.45 | Calculated Property |
| Pvap | 57.54 | kPa | 499.56 | Calculated Property |
| Pvap | 90.51 | kPa | 516.67 | Calculated Property |
| Pvap | 137.53 | kPa | 533.77 | Calculated Property |
| Pvap | 202.65 | kPa | 550.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-butyl-.
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
- The Yaws Handbook of Vapor Pressure
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