- InChI
- InChI=1S/C27H56/c1-6-8-9-10-11-12-13-14-15-16-20-26(4)22-18-24-27(5)23-17-21-25(3)19-7-2/h25-27H,6-24H2,1-5H3
- InChI Key
- NQRQGQTVYJRPJC-UHFFFAOYSA-N
- Formula
- C27H56
- SMILES
-
CCCCCCCCCCCCC(C)CCCC(C)CCCC(C)
CCC - 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 | 0.9786 | Relay (1.0) Calculated Property | |
| ΔfG° | 169.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.346 | Crippen Calculated Property | |
| McVol | 391.290 | ml/mol | McGowan Calculated Property |
| Pc | 697.65 | kPa | Joback Calculated Property |
| Inp | [2520.00; 2520.00] |
|
|
| Inp | 2520.00 | NIST | |
| Inp | 2520.00 | NIST | |
| Tboil | 622.49 | K | Relay (1.0) Calculated Property |
| Tc | 797.94 | K | Relay (1.0) Calculated Property |
| Tfus | 250.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.513 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.31; 1413.90] | 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 | -2.67010e+01 | |||
| Coefficient B | 2.58660e+00 | |||
| Coefficient C | -1.45460e-03 | |||
| Coefficient D | 3.08600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 577.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 719.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 847.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 962.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1063.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1153.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1232.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1301.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1361.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1413.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037843; 0.0000536] | Pa×s | [349.05; 699.36] |
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 | -1.40749e+01 | |||
| Coefficient B | 2.96622e+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. | 349.05 | |||
| Temperature range, max. | 699.36 | |||
| η | 0.0037843 | Pa×s | 349.05 | Calculated Property |
| η | 0.0016134 | Pa×s | 387.97 | Calculated Property |
| η | 0.0008035 | Pa×s | 426.90 | Calculated Property |
| η | 0.0004496 | Pa×s | 465.82 | Calculated Property |
| η | 0.0002752 | Pa×s | 504.74 | Calculated Property |
| η | 0.0001807 | Pa×s | 543.66 | Calculated Property |
| η | 0.0001255 | Pa×s | 582.59 | Calculated Property |
| η | 0.0000912 | Pa×s | 621.51 | Calculated Property |
| η | 0.0000689 | Pa×s | 660.43 | Calculated Property |
| η | 0.0000536 | Pa×s | 699.36 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,8,12-Trimethyltetracosane.
Sources
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