- InChI
- InChI=1S/C15H24O/c1-3-4-5-6-7-8-13(2)14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3
- InChI Key
- VFONHVBSRNKIAY-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- CCCCCCCC(C)c1ccc(O)cc1
- Molecular Weight1
- 220.36
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7460 | Relay (1.0) Calculated Property | |
| ΔfG° | 30.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.856 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 2123.64 | kPa | Joback Calculated Property |
| Inp | 1788.00 | NIST | |
| Tboil | 589.75 | K | Relay (1.0) Calculated Property |
| Tc | 792.91 | K | Relay (1.0) Calculated Property |
| Tfus | 324.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.731 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.00; 697.63] | 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 | -5.52540e+01 | |||
| Coefficient B | 1.51044e+00 | |||
| Coefficient C | -1.08296e-03 | |||
| Coefficient D | 3.25400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 283.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 357.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 423.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 480.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 529.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 571.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 609.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 641.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 670.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 697.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018851; 0.0000318] | Pa×s | [381.95; 598.66] |
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 | -1.75498e+01 | |||
| Coefficient B | 4.30686e+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. | 381.95 | |||
| Temperature range, max. | 598.66 | |||
| η | 0.0018851 | Pa×s | 381.95 | Calculated Property |
| η | 0.0009659 | Pa×s | 406.03 | Calculated Property |
| η | 0.0005334 | Pa×s | 430.11 | Calculated Property |
| η | 0.0003137 | Pa×s | 454.19 | Calculated Property |
| η | 0.0001946 | Pa×s | 478.26 | Calculated Property |
| η | 0.0001264 | Pa×s | 502.34 | Calculated Property |
| η | 0.0000854 | Pa×s | 526.42 | Calculated Property |
| η | 0.0000597 | Pa×s | 550.50 | Calculated Property |
| η | 0.0000430 | Pa×s | 574.58 | Calculated Property |
| η | 0.0000318 | Pa×s | 598.66 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-(1-methyloctyl).
Sources
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