- InChI
- InChI=1S/C14H22O/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12,15H,1-4,6,9-10,13H2
- InChI Key
- MGIGATOGROSKNW-UHFFFAOYSA-N
- Formula
- C14H22O
- SMILES
- OCCCCCCCCc1ccccc1
- Molecular Weight1
- 206.32
- CAS
- 10472-97-6
- 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 | 0.8353 | Relay (1.0) Calculated Property | |
| ΔfG° | 42.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.562 | Crippen Calculated Property | |
| McVol | 190.230 | ml/mol | McGowan Calculated Property |
| Pc | 2185.64 | kPa | Joback Calculated Property |
| Tboil | 596.92 | K | Relay (1.0) Calculated Property |
| Tc | 797.65 | K | Relay (1.0) Calculated Property |
| Tfus | 294.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.711 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.72; 641.75] | 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 | -3.84520e+01 | |||
| Coefficient B | 1.28890e+00 | |||
| Coefficient C | -7.99400e-04 | |||
| Coefficient D | 1.90700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 257.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 325.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 386.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 439.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 486.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 526.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 562.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 592.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 618.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 641.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0066158; 0.0000961] | Pa×s | [334.78; 576.19] |
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 | -1.51195e+01 | |||
| Coefficient B | 3.38169e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 334.78 | |||
| Temperature range, max. | 576.19 | |||
| η | 0.0066158 | Pa×s | 334.78 | Calculated Property |
| η | 0.0031273 | Pa×s | 361.60 | Calculated Property |
| η | 0.0016395 | Pa×s | 388.43 | Calculated Property |
| η | 0.0009343 | Pa×s | 415.25 | Calculated Property |
| η | 0.0005700 | Pa×s | 442.07 | Calculated Property |
| η | 0.0003680 | Pa×s | 468.90 | Calculated Property |
| η | 0.0002491 | Pa×s | 495.72 | Calculated Property |
| η | 0.0001755 | Pa×s | 522.54 | Calculated Property |
| η | 0.0001279 | Pa×s | 549.36 | Calculated Property |
| η | 0.0000961 | Pa×s | 576.19 | Calculated Property |
Similar Compounds
Find more compounds similar to 8-Phenyl-1-octanol.
Sources
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