- InChI
- InChI=1S/C11H16O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
- InChI Key
- HPUOAJPGWQQRNT-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- CCCCCOc1ccccc1
- Molecular Weight1
- 164.24
- CAS
- 2050-04-6
- 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 | 0.5226 | Relay (1.0) Calculated Property | |
| ΔfG° | 49.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.256 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 2603.08 | kPa | Joback Calculated Property |
| Tboil | 493.21 | K | Relay (1.0) Calculated Property |
| Tc | 702.31 | K | Relay (1.0) Calculated Property |
| Tfus | 255.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.98; 486.80] | 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 | -1.55160e+01 | |||
| Coefficient B | 9.06720e-01 | |||
| Coefficient C | -4.94800e-04 | |||
| Coefficient D | 9.04000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 196.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 247.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 292.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 332.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 368.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 399.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 426.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 450.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 470.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 486.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028054; 0.0001958] | Pa×s | [262.38; 490.60] |
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 | -1.15996e+01 | |||
| Coefficient B | 1.50171e+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. | 262.38 | |||
| Temperature range, max. | 490.60 | |||
| η | 0.0028054 | Pa×s | 262.38 | Calculated Property |
| η | 0.0016941 | Pa×s | 287.74 | Calculated Property |
| η | 0.0011101 | Pa×s | 313.10 | Calculated Property |
| η | 0.0007750 | Pa×s | 338.45 | Calculated Property |
| η | 0.0005689 | Pa×s | 363.81 | Calculated Property |
| η | 0.0004347 | Pa×s | 389.17 | Calculated Property |
| η | 0.0003433 | Pa×s | 414.53 | Calculated Property |
| η | 0.0002786 | Pa×s | 439.88 | Calculated Property |
| η | 0.0002313 | Pa×s | 465.24 | Calculated Property |
| η | 0.0001958 | Pa×s | 490.60 | Calculated Property |
Similar Compounds
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Sources
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