- InChI
- InChI=1S/C27H56/c1-8-14-24(4)19-12-20-25(5)16-9-10-17-26(6)21-13-22-27(7)18-11-15-23(2)3/h23-27H,8-22H2,1-7H3
- InChI Key
- MHPJBZUHPZZWMJ-UHFFFAOYSA-N
- Formula
- C27H56
- SMILES
-
CCCC(C)CCCC(C)CCCCC(C)CCCC(C)C
CCC(C)C - Molecular Weight1
- 380.73
- 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.
- 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 | 0.9082 | Relay (1.0) Calculated Property | |
| ΔfG° | 164.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -702.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.058 | Crippen Calculated Property | |
| McVol | 391.290 | ml/mol | McGowan Calculated Property |
| Pc | 703.59 | kPa | Joback Calculated Property |
| Inp | [2394.00; 2394.00] |
|
|
| Inp | 2394.00 | NIST | |
| Inp | 2394.00 | NIST | |
| Tboil | 626.03 | K | Relay (1.0) Calculated Property |
| Tc | 791.29 | K | Relay (1.0) Calculated Property |
| Tfus | 230.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.490 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.68; 1414.97] | 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 | -3.00650e+01 | |||
| Coefficient B | 2.59844e+00 | |||
| Coefficient C | -1.46100e-03 | |||
| Coefficient D | 3.07600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 576.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 719.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 848.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 963.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1064.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1154.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1233.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1302.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1362.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1414.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0081580; 0.0000458] | Pa×s | [319.05; 698.88] |
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 | -1.43429e+01 | |||
| Coefficient B | 3.04186e+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. | 319.05 | |||
| Temperature range, max. | 698.88 | |||
| η | 0.0081580 | Pa×s | 319.05 | Calculated Property |
| η | 0.0026783 | Pa×s | 361.25 | Calculated Property |
| η | 0.0011100 | Pa×s | 403.46 | Calculated Property |
| η | 0.0005436 | Pa×s | 445.66 | Calculated Property |
| η | 0.0003012 | Pa×s | 487.86 | Calculated Property |
| η | 0.0001833 | Pa×s | 530.06 | Calculated Property |
| η | 0.0001201 | Pa×s | 572.27 | Calculated Property |
| η | 0.0000833 | Pa×s | 614.47 | Calculated Property |
| η | 0.0000606 | Pa×s | 656.67 | Calculated Property |
| η | 0.0000458 | Pa×s | 698.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Docosane, 2,6,10,15,19-pentamethyl.
Sources
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