- InChI
- InChI=1S/C11H16O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h4-5,7-9,12H,3,6H2,1-2H3
- InChI Key
- ROMXEVFSCNLHAB-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- CCCC(C)c1ccccc1O
- Molecular Weight1
- 164.24
- CAS
- 87-26-3
- Other Names
-
- 2-(1-methylbutyl)phenol
- Phenol, 2-(1-methylbutyl)-
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -2.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -216.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 3.296 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 3135.00 | kPa | Joback Calculated Property |
| Tboil | 515.74 ± 0.01 | K | NIST |
| Tc | 777.32 | K | Joback Calculated Property |
| Tfus | 336.87 | K | Joback Calculated Property |
| Vc | 0.503 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.97; 434.70] | J/mol×K | [557.94; 777.32] | 
|
| Cp,gas | 357.97 | J/mol×K | 557.94 | Joback Calculated Property |
| Cp,gas | 372.96 | J/mol×K | 594.50 | Joback Calculated Property |
| Cp,gas | 386.96 | J/mol×K | 631.07 | Joback Calculated Property |
| Cp,gas | 400.05 | J/mol×K | 667.63 | Joback Calculated Property |
| Cp,gas | 412.32 | J/mol×K | 704.20 | Joback Calculated Property |
| Cp,gas | 423.84 | J/mol×K | 740.76 | Joback Calculated Property |
| Cp,gas | 434.70 | J/mol×K | 777.32 | Joback Calculated Property |
| η | [0.0000452; 0.0046044] | Pa×s | [336.87; 557.94] |
|
| η | 0.0046044 | Pa×s | 336.87 | Joback Calculated Property |
| η | 0.0014575 | Pa×s | 373.72 | Joback Calculated Property |
| η | 0.0005672 | Pa×s | 410.56 | Joback Calculated Property |
| η | 0.0002578 | Pa×s | 447.41 | Joback Calculated Property |
| η | 0.0001322 | Pa×s | 484.25 | Joback Calculated Property |
| η | 0.0000744 | Pa×s | 521.10 | Joback Calculated Property |
| η | 0.0000452 | Pa×s | 557.94 | Joback Calculated Property |
| ΔvapH | [59.60; 74.40] | kJ/mol | [449.00; 449.00] |
|
| ΔvapH | 59.60 | kJ/mol | 449.00 | NIST |
| ΔvapH | 74.40 | kJ/mol | 449.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [392.59; 545.22] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54521e+01 | |||
| Coefficient B | -4.67166e+03 | |||
| Coefficient C | -8.45260e+01 | |||
| Temperature range, min. | 392.59 | |||
| Temperature range, max. | 545.22 | |||
| Pvap | 1.33 | kPa | 392.59 | Calculated Property |
| Pvap | 2.94 | kPa | 409.55 | Calculated Property |
| Pvap | 6.00 | kPa | 426.51 | Calculated Property |
| Pvap | 11.44 | kPa | 443.47 | Calculated Property |
| Pvap | 20.58 | kPa | 460.43 | Calculated Property |
| Pvap | 35.18 | kPa | 477.38 | Calculated Property |
| Pvap | 57.55 | kPa | 494.34 | Calculated Property |
| Pvap | 90.53 | kPa | 511.30 | Calculated Property |
| Pvap | 137.56 | kPa | 528.26 | Calculated Property |
| Pvap | 202.67 | kPa | 545.22 | Calculated Property |
Similar Compounds
Find more compounds similar to O-sec-amylphenol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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