- InChI
- InChI=1S/C18H22/c1-18(2,3)14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
- InChI Key
- LRFSDPAZFHHGLC-UHFFFAOYSA-N
- Formula
- C18H22
- SMILES
- CC(C)(C)CC(c1ccccc1)c1ccccc1
- Molecular Weight1
- 238.37
- CAS
- 57123-34-9
- 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 | 0.4562 | Relay (1.0) Calculated Property | |
| ΔfG° | 325.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 59.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.255 | Crippen Calculated Property | |
| McVol | 216.960 | ml/mol | McGowan Calculated Property |
| Pc | 1963.07 | kPa | Joback Calculated Property |
| Tboil | [589.00; 589.00] | K |
|
| Tboil | 589.00 ± 6.00 | K | NIST |
| Tboil | 589.00 ± 8.00 | K | NIST |
| Tc | 814.84 | K | Relay (1.0) Calculated Property |
| Tfus | [306.00; 306.00] | K |
|
| Tfus | 306.00 ± 4.00 | K | NIST |
| Tfus | 306.00 ± 4.00 | K | NIST |
| Vc | 0.782 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.04; 712.92] | 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 | -1.07439e+02 | |||
| Coefficient B | 1.68776e+00 | |||
| Coefficient C | -1.19280e-03 | |||
| Coefficient D | 3.25400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 271.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 354.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 427.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 490.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 543.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 589.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 628.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 660.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 688.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 712.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0060680; 0.0001165] | Pa×s | [306.00; 630.43] |
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 | -1.27862e+01 | |||
| Coefficient B | 2.35052e+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. | 306.00 | |||
| Temperature range, max. | 630.43 | |||
| η | 0.0060680 | Pa×s | 306.00 | Calculated Property |
| η | 0.0027007 | Pa×s | 342.05 | Calculated Property |
| η | 0.0014026 | Pa×s | 378.09 | Calculated Property |
| η | 0.0008165 | Pa×s | 414.14 | Calculated Property |
| η | 0.0005183 | Pa×s | 450.19 | Calculated Property |
| η | 0.0003519 | Pa×s | 486.24 | Calculated Property |
| η | 0.0002521 | Pa×s | 522.28 | Calculated Property |
| η | 0.0001885 | Pa×s | 558.33 | Calculated Property |
| η | 0.0001460 | Pa×s | 594.38 | Calculated Property |
| η | 0.0001165 | Pa×s | 630.43 | Calculated Property |
Similar Compounds
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Sources
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