- InChI
- InChI=1S/C20H26/c1-3-17(19-11-7-5-8-12-19)15-16-18(4-2)20-13-9-6-10-14-20/h5-14,17-18H,3-4,15-16H2,1-2H3
- InChI Key
- DYCDLRHYBKZTGO-UHFFFAOYSA-N
- Formula
- C20H26
- SMILES
- CCC(CCC(CC)c1ccccc1)c1ccccc1
- Molecular Weight1
- 266.42
- CAS
- 21411-33-6
- 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 | 0.5545 | Relay (1.0) Calculated Property | |
| ΔfG° | 337.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 23.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.154 | Crippen Calculated Property | |
| McVol | 245.140 | ml/mol | McGowan Calculated Property |
| Pc | 1652.46 | kPa | Joback Calculated Property |
| Tboil | 612.23 | K | Relay (1.0) Calculated Property |
| Tc | 840.87 | K | Relay (1.0) Calculated Property |
| Tfus | 320.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.891 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.61; 815.17] | 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 | -8.64660e+01 | |||
| Coefficient B | 1.75784e+00 | |||
| Coefficient C | -1.13300e-03 | |||
| Coefficient D | 2.76800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 314.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 405.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 486.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 556.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 617.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 670.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 715.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 754.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 787.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 815.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031470; 0.0001125] | Pa×s | [338.00; 652.42] |
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 | -1.26729e+01 | |||
| Coefficient B | 2.33612e+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. | 338.00 | |||
| Temperature range, max. | 652.42 | |||
| η | 0.0031470 | Pa×s | 338.00 | Calculated Property |
| η | 0.0016471 | Pa×s | 372.94 | Calculated Property |
| η | 0.0009632 | Pa×s | 407.87 | Calculated Property |
| η | 0.0006130 | Pa×s | 442.81 | Calculated Property |
| η | 0.0004168 | Pa×s | 477.74 | Calculated Property |
| η | 0.0002987 | Pa×s | 512.68 | Calculated Property |
| η | 0.0002233 | Pa×s | 547.61 | Calculated Property |
| η | 0.0001729 | Pa×s | 582.55 | Calculated Property |
| η | 0.0001378 | Pa×s | 617.48 | Calculated Property |
| η | 0.0001125 | Pa×s | 652.42 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 3,6-diphenyl-.
Sources
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