- InChI
- InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-12-15-17-16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
- InChI Key
- QECQLMGRLZYSEW-UHFFFAOYSA-N
- Formula
- C16H26O
- SMILES
- CCCCCCCCCCOc1ccccc1
- Molecular Weight1
- 234.38
- CAS
- 35021-67-1
- 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 | 0.7403 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -265.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.206 | Crippen Calculated Property | |
| McVol | 218.410 | ml/mol | McGowan Calculated Property |
| Pc | 1679.66 | kPa | Joback Calculated Property |
| Tboil | 570.57 | K | Relay (1.0) Calculated Property |
| Tc | 768.52 | K | Relay (1.0) Calculated Property |
| Tfus | 348.00 ± 3.00 | K | NIST |
| Vc | 0.840 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.05; 744.76] | 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 | -2.00610e+01 | |||
| Coefficient B | 1.38172e+00 | |||
| Coefficient C | -7.66800e-04 | |||
| Coefficient D | 1.49900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 303.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 379.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 447.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 508.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 562.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 610.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 651.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 687.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 718.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 744.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014005; 0.0001617] | Pa×s | [348.00; 562.07] |
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 | -1.22390e+01 | |||
| Coefficient B | 1.97251e+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. | 348.00 | |||
| Temperature range, max. | 562.07 | |||
| η | 0.0014005 | Pa×s | 348.00 | Calculated Property |
| η | 0.0009745 | Pa×s | 371.79 | Calculated Property |
| η | 0.0007084 | Pa×s | 395.57 | Calculated Property |
| η | 0.0005338 | Pa×s | 419.36 | Calculated Property |
| η | 0.0004147 | Pa×s | 443.14 | Calculated Property |
| η | 0.0003306 | Pa×s | 466.93 | Calculated Property |
| η | 0.0002694 | Pa×s | 490.72 | Calculated Property |
| η | 0.0002237 | Pa×s | 514.50 | Calculated Property |
| η | 0.0001888 | Pa×s | 538.29 | Calculated Property |
| η | 0.0001617 | Pa×s | 562.07 | Calculated Property |
Similar Compounds
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Sources
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