- InChI
- InChI=1S/C11H16O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h5-6,8-9,12H,2-4,7H2,1H3
- InChI Key
- MEEKGULDSDXFCN-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- CCCCCc1ccccc1O
- Molecular Weight1
- 164.24
- CAS
- 136-81-2
- Other Names
-
- 2-Pentylphenol
- Phenol, o-pentyl-
- o-Amylphenol
- o-Pentylphenol
- 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).
- 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 | 0.6276 | Relay (1.0) Calculated Property | |
| ΔfG° | -0.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -199.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.125 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 3107.10 | kPa | Joback Calculated Property |
| Tboil | 523.17 | K | Relay (1.0) Calculated Property |
| Tc | 740.78 | K | Relay (1.0) Calculated Property |
| Tfus | 282.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.46; 490.72] | 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 | -4.99360e+01 | |||
| Coefficient B | 1.12452e+00 | |||
| Coefficient C | -8.62160e-04 | |||
| Coefficient D | 2.78300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 198.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 252.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 298.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 338.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 372.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 402.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 428.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 450.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 471.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 490.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028753; 0.0000599] | Pa×s | [351.87; 541.33] |
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 | -1.69136e+01 | |||
| Coefficient B | 3.89240e+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. | 351.87 | |||
| Temperature range, max. | 541.33 | |||
| η | 0.0028753 | Pa×s | 351.87 | Calculated Property |
| η | 0.0015399 | Pa×s | 372.92 | Calculated Property |
| η | 0.0008816 | Pa×s | 393.97 | Calculated Property |
| η | 0.0005341 | Pa×s | 415.02 | Calculated Property |
| η | 0.0003397 | Pa×s | 436.07 | Calculated Property |
| η | 0.0002252 | Pa×s | 457.12 | Calculated Property |
| η | 0.0001548 | Pa×s | 478.17 | Calculated Property |
| η | 0.0001098 | Pa×s | 499.22 | Calculated Property |
| η | 0.0000801 | Pa×s | 520.28 | Calculated Property |
| η | 0.0000599 | Pa×s | 541.33 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [388.00; 555.21] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44773e+01 | |||
| Coefficient B | -4.32884e+03 | |||
| Coefficient C | -8.29300e+01 | |||
| Temperature range, min. | 388.00 | |||
| Temperature range, max. | 555.21 | |||
| Pvap | 1.33 | kPa | 388.00 | Calculated Property |
| Pvap | 3.01 | kPa | 406.58 | Calculated Property |
| Pvap | 6.22 | kPa | 425.16 | Calculated Property |
| Pvap | 11.94 | kPa | 443.74 | Calculated Property |
| Pvap | 21.48 | kPa | 462.32 | Calculated Property |
| Pvap | 36.59 | kPa | 480.89 | Calculated Property |
| Pvap | 59.44 | kPa | 499.47 | Calculated Property |
| Pvap | 92.64 | kPa | 518.05 | Calculated Property |
| Pvap | 139.22 | kPa | 536.63 | Calculated Property |
| Pvap | 202.64 | kPa | 555.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-pentyl-.
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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