- 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
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | -8.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -190.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.14 | kJ/mol | Joback Calculated Property |
| IE | 8.70 ± 0.10 | eV | NIST |
| log10WS | -2.66 | Crippen 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 | 1335.00 | NIST | |
| Inp | 1360.60 | NIST | |
| I | 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 | 753.87 | K | Joback Calculated Property |
| Tfus | [285.15; 295.15] | K |
|
| Tfus | 293.65 ± 2.00 | K | NIST |
| Tfus | 295.15 ± 2.00 | K | NIST |
| Tfus | 295.15 ± 2.00 | K | NIST |
| Tfus | 285.15 ± 1.00 | K | NIST |
| Tfus | 295.15 ± 2.00 | K | NIST |
| Vc | 0.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.56; 382.17] | J/mol×K | [535.50; 753.87] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 310 320 330 340 350 360 370 380 600 700 | ||||
| Cp,gas | 311.56 | J/mol×K | 535.50 | Joback Calculated Property |
| Cp,gas | 325.39 | J/mol×K | 571.90 | Joback Calculated Property |
| Cp,gas | 338.30 | J/mol×K | 608.29 | Joback Calculated Property |
| Cp,gas | 350.35 | J/mol×K | 644.69 | Joback Calculated Property |
| Cp,gas | 361.63 | J/mol×K | 681.08 | Joback Calculated Property |
| Cp,gas | 372.21 | J/mol×K | 717.48 | Joback Calculated Property |
| Cp,gas | 382.17 | J/mol×K | 753.87 | Joback Calculated Property |
| η | [0.0000606; 0.0035095] | Pa×s | [340.60; 535.50] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 3.50e-3 350 400 450 500 | ||||
| η | 0.0035095 | Pa×s | 340.60 | Joback Calculated Property |
| η | 0.0013291 | Pa×s | 373.08 | Joback Calculated Property |
| η | 0.0005881 | Pa×s | 405.57 | Joback Calculated Property |
| η | 0.0002937 | Pa×s | 438.05 | Joback Calculated Property |
| η | 0.0001614 | Pa×s | 470.53 | Joback Calculated Property |
| η | 0.0000958 | Pa×s | 503.02 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 535.50 | Joback Calculated Property |
| ΔvapH | [49.90; 61.70] | kJ/mol | [443.00; 524.00] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 50 52 54 56 58 60 62 460 480 500 520 | ||||
| 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 |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [396.92; 550.88] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500 550 | ||||
| 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
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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