- InChI
- InChI=1S/C16H26/c1-3-5-8-12-15(11-6-4-2)16-13-9-7-10-14-16/h7,9-10,13-15H,3-6,8,11-12H2,1-2H3
- InChI Key
- CDOBABYRHNVZQG-UHFFFAOYSA-N
- Formula
- C16H26
- SMILES
- CCCCCC(CCCC)c1ccccc1
- Molecular Weight1
- 218.38
- Other Names
-
- Decane, 5-phenyl-
- (5-Decyl)benzene
- 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 | 0.5768 | Relay (1.0) Calculated Property | |
| ΔfG° | 193.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.541 | Crippen Calculated Property | |
| McVol | 212.540 | ml/mol | McGowan Calculated Property |
| Pc | 1714.61 | kPa | Joback Calculated Property |
| Inp | [263.10; 1537.00] |
|
|
| Inp | 1526.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 263.10 | NIST | |
| Inp | 263.10 | NIST | |
| Inp | 1535.00 | NIST | |
| I | [1729.00; 1729.00] |
|
|
| I | 1729.00 | NIST | |
| I | 1729.00 | NIST | |
| Tboil | 547.85 | K | Relay (1.0) Calculated Property |
| Tc | 747.59 | K | Relay (1.0) Calculated Property |
| Tfus | 233.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.789 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.33; 726.80] | 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 | -4.72430e+01 | |||
| Coefficient B | 1.45084e+00 | |||
| Coefficient C | -8.81000e-04 | |||
| Coefficient D | 2.04200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 287.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 364.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 433.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 494.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 547.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 594.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 635.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 670.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 700.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 726.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0047483; 0.0001803] | Pa×s | [281.50; 549.41] |
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 | -1.20577e+01 | |||
| Coefficient B | 1.88824e+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. | 281.50 | |||
| Temperature range, max. | 549.41 | |||
| η | 0.0047483 | Pa×s | 281.50 | Calculated Property |
| η | 0.0025000 | Pa×s | 311.27 | Calculated Property |
| η | 0.0014722 | Pa×s | 341.04 | Calculated Property |
| η | 0.0009439 | Pa×s | 370.80 | Calculated Property |
| η | 0.0006465 | Pa×s | 400.57 | Calculated Property |
| η | 0.0004666 | Pa×s | 430.34 | Calculated Property |
| η | 0.0003513 | Pa×s | 460.11 | Calculated Property |
| η | 0.0002738 | Pa×s | 489.88 | Calculated Property |
| η | 0.0002195 | Pa×s | 519.65 | Calculated Property |
| η | 0.0001803 | Pa×s | 549.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-butylhexyl)-.
Sources
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