- InChI
- InChI=1S/C22H38/c1-4-5-6-7-8-9-10-11-12-13-17-20-22(2,3)21-18-15-14-16-19-21/h14-16,18-19H,4-13,17,20H2,1-3H3
- InChI Key
- MMEVGUGVEZBRNH-UHFFFAOYSA-N
- Formula
- C22H38
- SMILES
- CCCCCCCCCCCCCC(C)(C)c1ccccc1
- Molecular Weight1
- 302.54
- CAS
- 29138-94-1
- 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 | 0.7896 | Relay (1.0) Calculated Property | |
| ΔfG° | 249.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -251.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.665 | Crippen Calculated Property | |
| McVol | 297.080 | ml/mol | McGowan Calculated Property |
| Pc | 1126.08 | kPa | Joback Calculated Property |
| Tboil | 604.26 | K | Relay (1.0) Calculated Property |
| Tc | 808.45 | K | Relay (1.0) Calculated Property |
| Tfus | 244.00 ± 2.00 | K | NIST |
| Vc | 1.129 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.47; 1037.27] | 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 | -7.54880e+01 | |||
| Coefficient B | 2.14076e+00 | |||
| Coefficient C | -1.37600e-03 | |||
| Coefficient D | 3.48000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 413.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 525.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 623.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 709.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 785.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 851.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 907.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 957.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 999.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1037.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0870869; 0.0001032] | Pa×s | [244.00; 640.51] |
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 | -1.33258e+01 | |||
| Coefficient B | 2.65592e+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. | 244.00 | |||
| Temperature range, max. | 640.51 | |||
| η | 0.0870869 | Pa×s | 244.00 | Calculated Property |
| η | 0.0164798 | Pa×s | 288.06 | Calculated Property |
| η | 0.0048503 | Pa×s | 332.11 | Calculated Property |
| η | 0.0019011 | Pa×s | 376.17 | Calculated Property |
| η | 0.0009069 | Pa×s | 420.22 | Calculated Property |
| η | 0.0004978 | Pa×s | 464.28 | Calculated Property |
| η | 0.0003032 | Pa×s | 508.34 | Calculated Property |
| η | 0.0001999 | Pa×s | 552.39 | Calculated Property |
| η | 0.0001401 | Pa×s | 596.45 | Calculated Property |
| η | 0.0001032 | Pa×s | 640.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecane, 2-methyl-2-phenyl-.
Sources
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