- InChI
- InChI=1S/C28H58/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(4,6-2)7-3/h5-27H2,1-4H3
- InChI Key
- DPYKIUKBORPTNH-UHFFFAOYSA-N
- Formula
- C28H58
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCC(C)(CC)
CC - Molecular Weight1
- 394.77
- 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 | 1.0461 | Relay (1.0) Calculated Property | |
| ΔfG° | 187.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -631.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.025 | Crippen Calculated Property | |
| McVol | 405.380 | ml/mol | McGowan Calculated Property |
| Pc | 661.87 | kPa | Joback Calculated Property |
| Inp | 2767.00 | NIST | |
| Tboil | 625.32 | K | Relay (1.0) Calculated Property |
| Tc | 807.89 | K | Relay (1.0) Calculated Property |
| Tfus | 279.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.566 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.01; 1465.34] | 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 | -4.70370e+01 | |||
| Coefficient B | 2.78968e+00 | |||
| Coefficient C | -1.67120e-03 | |||
| Coefficient D | 3.93900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 598.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 748.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 881.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1000.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1105.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1197.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1278.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1349.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1411.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1465.34 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014268; 0.0000488] | Pa×s | [407.74; 717.52] |
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 | -1.43697e+01 | |||
| Coefficient B | 3.18746e+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. | 407.74 | |||
| Temperature range, max. | 717.52 | |||
| η | 0.0014268 | Pa×s | 407.74 | Calculated Property |
| η | 0.0007764 | Pa×s | 442.16 | Calculated Property |
| η | 0.0004613 | Pa×s | 476.58 | Calculated Property |
| η | 0.0002940 | Pa×s | 511.00 | Calculated Property |
| η | 0.0001983 | Pa×s | 545.42 | Calculated Property |
| η | 0.0001402 | Pa×s | 579.84 | Calculated Property |
| η | 0.0001030 | Pa×s | 614.26 | Calculated Property |
| η | 0.0000782 | Pa×s | 648.68 | Calculated Property |
| η | 0.0000611 | Pa×s | 683.10 | Calculated Property |
| η | 0.0000488 | Pa×s | 717.52 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethyl-3-methyl-pentacosane.
Sources
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