- InChI
- InChI=1S/C27H56/c1-5-9-11-13-15-16-17-19-21-23-26-27(8-4,24-7-3)25-22-20-18-14-12-10-6-2/h5-26H2,1-4H3
- InChI Key
- SAGFXTHPTPNQPD-UHFFFAOYSA-N
- Formula
- C27H56
- SMILES
-
CCCCCCCCCCCCC(CC)(CCC)CCCCCCCC
C - Molecular Weight1
- 380.73
- CAS
- 55282-31-0
- 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 | 0.9906 | Relay (1.0) Calculated Property | |
| ΔfG° | 179.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -572.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.635 | Crippen Calculated Property | |
| McVol | 391.290 | ml/mol | McGowan Calculated Property |
| Pc | 695.81 | kPa | Joback Calculated Property |
| Tboil | 624.23 | K | Relay (1.0) Calculated Property |
| Tc | 801.36 | K | Relay (1.0) Calculated Property |
| Tfus | 209.00 ± 3.00 | K | NIST |
| Vc | 1.481 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.79; 1413.75] | 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 | -4.61280e+01 | |||
| Coefficient B | 2.69468e+00 | |||
| Coefficient C | -1.61680e-03 | |||
| Coefficient D | 3.82000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 576.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 721.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 850.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 965.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1066.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1155.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1233.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1301.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1361.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1413.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [1.8105096; 0.0000569] | Pa×s | [209.00; 697.72] |
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 | -1.42069e+01 | |||
| Coefficient B | 3.09330e+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. | 209.00 | |||
| Temperature range, max. | 697.72 | |||
| η | 1.8105096 | Pa×s | 209.00 | Calculated Property |
| η | 0.0855409 | Pa×s | 263.30 | Calculated Property |
| η | 0.0114773 | Pa×s | 317.60 | Calculated Property |
| η | 0.0027685 | Pa×s | 371.91 | Calculated Property |
| η | 0.0009595 | Pa×s | 426.21 | Calculated Property |
| η | 0.0004225 | Pa×s | 480.51 | Calculated Property |
| η | 0.0002198 | Pa×s | 534.81 | Calculated Property |
| η | 0.0001289 | Pa×s | 589.11 | Calculated Property |
| η | 0.0000828 | Pa×s | 643.42 | Calculated Property |
| η | 0.0000569 | Pa×s | 697.72 | Calculated Property |
Similar Compounds
Find more compounds similar to Docosane, 10-ethyl-10-propyl-.
Sources
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