- InChI
- InChI=1S/C26H54/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(3)5-2/h26H,4-25H2,1-3H3
- InChI Key
- VNSJCJLDAGMPAO-UHFFFAOYSA-N
- Formula
- C26H54
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCC(C)CC
- Molecular Weight1
- 366.71
- CAS
- 6902-54-1
- 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 | 1.0310 | Relay (1.0) Calculated Property | |
| ΔfG° | 165.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -596.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.244 | Crippen Calculated Property | |
| McVol | 377.200 | ml/mol | McGowan Calculated Property |
| Pc | 728.10 | kPa | Joback Calculated Property |
| Inp | [2571.00; 2585.00] |
|
|
| Inp | 2574.00 | NIST | |
| Inp | 2575.00 | NIST | |
| Inp | 2578.00 | NIST | |
| Inp | 2574.00 | NIST | |
| Inp | 2571.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Inp | 2573.00 | NIST | |
| Inp | 2573.00 | NIST | |
| Inp | 2575.40 | NIST | |
| Inp | 2571.00 | NIST | |
| Inp | 2574.00 | NIST | |
| Inp | 2575.00 | NIST | |
| Inp | 2573.00 | NIST | |
| Inp | 2575.00 | NIST | |
| Inp | 2579.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Inp | 2578.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Inp | 2573.00 | NIST | |
| Inp | 2574.00 | NIST | |
| Inp | 2574.00 | NIST | |
| Inp | 2578.00 | NIST | |
| Inp | Outlier 2585.00 | NIST | |
| Inp | 2573.00 | NIST | |
| Tboil | 615.30 | K | Relay (1.0) Calculated Property |
| Tc | 789.26 | K | Relay (1.0) Calculated Property |
| Tfus | 298.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.493 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [556.73; 1361.23] | 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 | -2.24280e+01 | |||
| Coefficient B | 2.47976e+00 | |||
| Coefficient C | -1.39380e-03 | |||
| Coefficient D | 2.97700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 556.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 693.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 816.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 926.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1023.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1109.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1185.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1252.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1310.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1361.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023771; 0.0000722] | Pa×s | [367.78; 680.54] |
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 | -1.36454e+01 | |||
| Coefficient B | 2.79642e+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. | 367.78 | |||
| Temperature range, max. | 680.54 | |||
| η | 0.0023771 | Pa×s | 367.78 | Calculated Property |
| η | 0.0012330 | Pa×s | 402.53 | Calculated Property |
| η | 0.0007099 | Pa×s | 437.28 | Calculated Property |
| η | 0.0004433 | Pa×s | 472.03 | Calculated Property |
| η | 0.0002953 | Pa×s | 506.79 | Calculated Property |
| η | 0.0002073 | Pa×s | 541.54 | Calculated Property |
| η | 0.0001518 | Pa×s | 576.29 | Calculated Property |
| η | 0.0001152 | Pa×s | 611.04 | Calculated Property |
| η | 0.0000900 | Pa×s | 645.79 | Calculated Property |
| η | 0.0000722 | Pa×s | 680.54 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-methylpentacosane.
Sources
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