- InChI
- InChI=1S/C25H44/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22-23,25H,3-10,12,14-16,18,21,24H2,1-2H3/b13-11+,19-17+,22-20+,25-23+
- InChI Key
- LQUNNFHOQFOWRN-KTWHSFBLSA-N
- Formula
- C25H44
- SMILES
- CCCCCC=CCC=CCC=CCC=CCCCCCCCCC
- Molecular Weight1
- 344.62
- 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 | 0.7372 | Relay (1.0) Calculated Property | |
| ΔfG° | 480.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.102 | Crippen Calculated Property | |
| McVol | 345.910 | ml/mol | McGowan Calculated Property |
| Pc | 859.99 | kPa | Joback Calculated Property |
| Inp | 2420.00 | NIST | |
| Tboil | 613.41 | K | Relay (1.0) Calculated Property |
| Tc | 788.10 | K | Relay (1.0) Calculated Property |
| Tfus | 270.23 | K | Relay (1.0) Calculated Property |
| Vc | 1.249 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.81; 1186.77] | 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 | -7.65650e+01 | |||
| Coefficient B | 2.45884e+00 | |||
| Coefficient C | -1.67140e-03 | |||
| Coefficient D | 4.75900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 479.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 605.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 715.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 811.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 896.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 969.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1033.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1090.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1141.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1186.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016578; 0.0000484] | Pa×s | [351.19; 679.32] |
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 | -1.37185e+01 | |||
| Coefficient B | 2.56940e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 351.19 | |||
| Temperature range, max. | 679.32 | |||
| η | 0.0016578 | Pa×s | 351.19 | Calculated Property |
| η | 0.0008331 | Pa×s | 387.65 | Calculated Property |
| η | 0.0004712 | Pa×s | 424.11 | Calculated Property |
| η | 0.0002917 | Pa×s | 460.57 | Calculated Property |
| η | 0.0001937 | Pa×s | 497.03 | Calculated Property |
| η | 0.0001361 | Pa×s | 533.48 | Calculated Property |
| η | 0.0001000 | Pa×s | 569.94 | Calculated Property |
| η | 0.0000763 | Pa×s | 606.40 | Calculated Property |
| η | 0.0000600 | Pa×s | 642.86 | Calculated Property |
| η | 0.0000484 | Pa×s | 679.32 | Calculated Property |
Similar Compounds
Find more compounds similar to 6,9,12,15-Pentacosatetraene.
Sources
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