- InChI
- InChI=1S/C10H14O/c1-3-8(2)9-5-4-6-10(11)7-9/h4-8,11H,3H2,1-2H3
- InChI Key
- NBYBZLCUXTUWBA-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- CCC(C)c1cccc(O)c1
- Molecular Weight1
- 150.22
- CAS
- 3522-86-9
- Other Names
-
- phenol, m-sec-butyl-
- 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).
- 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 | 0.5387 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -198.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.906 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Tboil | 514.17 | K | Relay (1.0) Calculated Property |
| Tc | 735.10 | K | Relay (1.0) Calculated Property |
| Tfus | 302.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.452 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.94; 439.67] | 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 | -5.07090e+01 | |||
| Coefficient B | 1.03544e+00 | |||
| Coefficient C | -8.10960e-04 | |||
| Coefficient D | 2.65900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 176.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 225.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 267.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 303.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 334.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 361.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 383.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 404.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 422.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 439.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0057625; 0.0000604] | Pa×s | [325.60; 531.07] |
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 | -1.69379e+01 | |||
| Coefficient B | 3.83606e+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. | 325.60 | |||
| Temperature range, max. | 531.07 | |||
| η | 0.0057625 | Pa×s | 325.60 | Calculated Property |
| η | 0.0026629 | Pa×s | 348.43 | Calculated Property |
| η | 0.0013531 | Pa×s | 371.26 | Calculated Property |
| η | 0.0007436 | Pa×s | 394.09 | Calculated Property |
| η | 0.0004364 | Pa×s | 416.92 | Calculated Property |
| η | 0.0002707 | Pa×s | 439.75 | Calculated Property |
| η | 0.0001760 | Pa×s | 462.58 | Calculated Property |
| η | 0.0001191 | Pa×s | 485.41 | Calculated Property |
| η | 0.0000835 | Pa×s | 508.24 | Calculated Property |
| η | 0.0000604 | Pa×s | 531.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3-(1-methylpropyl)-.
Sources
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