- InChI
- InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3
- InChI Key
- ZUTYZAFDFLLILI-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- CCC(C)c1ccc(O)cc1
- Molecular Weight1
- 150.22
- CAS
- 99-71-8
- Other Names
-
- 1-Hydroxy-4-sec-butylbenzene
- 4-(1-Methylpropyl)phenol
- 4-(2-Butyl)phenol
- 4-sec-Butylphenol
- Phenol, p-sec-butyl-
- p-(1-Methylpropyl)phenol
- p-sec-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).
- ΔfH°liquid : Liquid phase 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).
- 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° | -11.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -190.30 | kJ/mol | NIST |
| ΔfH°liquid | -256.40 | kJ/mol | NIST |
| ΔfusH° | 17.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.10 | kJ/mol | NIST |
| log10WS | -2.62 | Crippen Calculated Property | |
| logPoct/wat | 2.906 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Inp | [1265.00; 1317.90] |
|
|
| Inp | 1293.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Inp | 1313.70 | NIST | |
| Inp | 1315.30 | NIST | |
| Inp | 1317.90 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1279.00 | NIST | |
| I | [2068.00; 2068.00] |
|
|
| I | 2068.00 | NIST | |
| I | 2068.00 | NIST | |
| Tboil | 535.06 | K | Joback Calculated Property |
| Tc | 758.39 | K | Joback Calculated Property |
| Tfus | [325.15; 335.15] | K |
|
| Tfus | 327.15 ± 6.00 | K | NIST |
| Tfus | 332.15 ± 2.00 | K | NIST |
| Tfus | 335.15 ± 2.00 | K | NIST |
| Tfus | 327.65 ± 5.00 | K | NIST |
| Tfus | 331.40 ± 2.00 | K | NIST |
| Tfus | 332.15 ± 2.00 | K | NIST |
| Tfus | 332.40 ± 4.00 | K | NIST |
| Tfus | 325.15 ± 6.00 | K | NIST |
| Tfus | 334.65 ± 2.00 | K | NIST |
| Tfus | 334.65 ± 2.00 | K | NIST |
| Tfus | 332.15 ± 3.00 | K | NIST |
| Tfus | 326.65 ± 5.00 | K | NIST |
| Vc | 0.448 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.88; 384.11] | J/mol×K | [535.06; 758.39] |
|
| Cp,gas | 311.88 | J/mol×K | 535.06 | Joback Calculated Property |
| Cp,gas | 326.10 | J/mol×K | 572.28 | Joback Calculated Property |
| Cp,gas | 339.34 | J/mol×K | 609.50 | Joback Calculated Property |
| Cp,gas | 351.67 | J/mol×K | 646.73 | Joback Calculated Property |
| Cp,gas | 363.20 | J/mol×K | 683.95 | Joback Calculated Property |
| Cp,gas | 373.98 | J/mol×K | 721.17 | Joback Calculated Property |
| Cp,gas | 384.11 | J/mol×K | 758.39 | Joback Calculated Property |
| η | [0.0000572; 0.0057625] | Pa×s | [325.60; 535.06] |
|
| η | 0.0057625 | Pa×s | 325.60 | Joback Calculated Property |
| η | 0.0018414 | Pa×s | 360.51 | Joback Calculated Property |
| η | 0.0007197 | Pa×s | 395.42 | Joback Calculated Property |
| η | 0.0003276 | Pa×s | 430.33 | Joback Calculated Property |
| η | 0.0001678 | Pa×s | 465.24 | Joback Calculated Property |
| η | 0.0000944 | Pa×s | 500.15 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 535.06 | Joback Calculated Property |
| ΔvapH | 59.00 | kJ/mol | 430.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [402.00; 408.70] | K | [2.40; 3.30] |
|
| Tboilr | 402.00 ± 1.00 | K | 2.40 | NIST |
| Tboilr | 408.70 | K | 3.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [392.20; 544.70] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54517e+01 | |||
| Coefficient B | -4.66767e+03 | |||
| Coefficient C | -8.43890e+01 | |||
| Temperature range, min. | 392.20 | |||
| Temperature range, max. | 544.70 | |||
| Pvap | 1.33 | kPa | 392.20 | Calculated Property |
| Pvap | 2.94 | kPa | 409.14 | Calculated Property |
| Pvap | 6.00 | kPa | 426.09 | Calculated Property |
| Pvap | 11.44 | kPa | 443.03 | Calculated Property |
| Pvap | 20.58 | kPa | 459.98 | Calculated Property |
| Pvap | 35.18 | kPa | 476.92 | Calculated Property |
| Pvap | 57.55 | kPa | 493.87 | Calculated Property |
| Pvap | 90.52 | kPa | 510.81 | Calculated Property |
| Pvap | 137.54 | kPa | 527.76 | Calculated Property |
| Pvap | 202.64 | kPa | 544.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-(1-methylpropyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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