- InChI
- InChI=1S/C27H56/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27(4)25-22-24-26(3)6-2/h26-27H,5-25H2,1-4H3
- InChI Key
- JNZLCLJYXZZJEX-UHFFFAOYSA-N
- Formula
- C27H56
- SMILES
-
CCCCCCCCCCCCCCCCCCC(C)CCCC(C)C
C - Molecular Weight1
- 380.73
- Other Names
-
- 3,7-dimethyl-pentacosane
- 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 | 1.0233 | Relay (1.0) Calculated Property | |
| ΔfG° | 171.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.491 | Crippen Calculated Property | |
| McVol | 391.290 | ml/mol | McGowan Calculated Property |
| Pc | 694.71 | kPa | Joback Calculated Property |
| Inp | [2604.00; 2612.00] |
|
|
| Inp | 2608.50 | NIST | |
| Inp | 2608.00 | NIST | |
| Inp | 2604.00 | NIST | |
| Inp | 2608.50 | NIST | |
| Inp | 2612.00 | NIST | |
| Inp | 2608.00 | NIST | |
| Inp | 2610.00 | NIST | |
| Tboil | 623.11 | K | Relay (1.0) Calculated Property |
| Tc | 797.13 | K | Relay (1.0) Calculated Property |
| Tfus | 273.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.528 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.62; 1413.36] | 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 | -2.50190e+01 | |||
| Coefficient B | 2.58068e+00 | |||
| Coefficient C | -1.45140e-03 | |||
| Coefficient D | 3.09100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 577.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 720.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 847.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 961.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1063.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1152.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1231.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1300.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1360.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1413.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027479; 0.0000580] | Pa×s | [364.05; 699.73] |
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 | -1.39409e+01 | |||
| Coefficient B | 2.92840e+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. | 364.05 | |||
| Temperature range, max. | 699.73 | |||
| η | 0.0027479 | Pa×s | 364.05 | Calculated Property |
| η | 0.0013012 | Pa×s | 401.35 | Calculated Property |
| η | 0.0006997 | Pa×s | 438.65 | Calculated Property |
| η | 0.0004147 | Pa×s | 475.94 | Calculated Property |
| η | 0.0002652 | Pa×s | 513.24 | Calculated Property |
| η | 0.0001801 | Pa×s | 550.54 | Calculated Property |
| η | 0.0001285 | Pa×s | 587.84 | Calculated Property |
| η | 0.0000955 | Pa×s | 625.14 | Calculated Property |
| η | 0.0000734 | Pa×s | 662.43 | Calculated Property |
| η | 0.0000580 | Pa×s | 699.73 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentacosane, 3,7-dimethyl.
Sources
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