- InChI
- InChI=1S/C14H22/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14/h9-12H,3-8H2,1-2H3
- InChI Key
- YXQIQZKAXWBJBN-UHFFFAOYSA-N
- Formula
- C14H22
- SMILES
- CCCCCCc1ccc(CC)cc1
- Molecular Weight1
- 190.33
- 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.
- I : 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 | 0.5739 | Relay (1.0) Calculated Property | |
| ΔfG° | 169.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -91.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.372 | Crippen Calculated Property | |
| McVol | 184.360 | ml/mol | McGowan Calculated Property |
| Pc | 1982.35 | kPa | Joback Calculated Property |
| Inp | 1421.00 | NIST | |
| I | [1653.00; 1660.00] |
|
|
| I | 1660.00 | NIST | |
| I | 1653.00 | NIST | |
| I | 1653.00 | NIST | |
| I | 1653.00 | NIST | |
| Tboil | 532.44 | K | Relay (1.0) Calculated Property |
| Tc | 724.01 | K | Relay (1.0) Calculated Property |
| Tfus | 222.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.719 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.77; 620.04] | 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 | -2.94440e+01 | |||
| Coefficient B | 1.19544e+00 | |||
| Coefficient C | -7.01960e-04 | |||
| Coefficient D | 1.56000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 247.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 312.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 370.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 421.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 466.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 506.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 541.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 571.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 597.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 620.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026153; 0.0002060] | Pa×s | [286.48; 522.69] |
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 | -1.15692e+01 | |||
| Coefficient B | 1.61084e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 286.48 | |||
| Temperature range, max. | 522.69 | |||
| η | 0.0026153 | Pa×s | 286.48 | Calculated Property |
| η | 0.0016315 | Pa×s | 312.73 | Calculated Property |
| η | 0.0010949 | Pa×s | 338.97 | Calculated Property |
| η | 0.0007781 | Pa×s | 365.22 | Calculated Property |
| η | 0.0005789 | Pa×s | 391.46 | Calculated Property |
| η | 0.0004470 | Pa×s | 417.71 | Calculated Property |
| η | 0.0003559 | Pa×s | 443.96 | Calculated Property |
| η | 0.0002907 | Pa×s | 470.20 | Calculated Property |
| η | 0.0002425 | Pa×s | 496.45 | Calculated Property |
| η | 0.0002060 | Pa×s | 522.69 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethyl-4-hexyl.
Sources
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