- InChI
- InChI=1S/C41H82/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-41(3)39-37-35-33-31-29-15-13-11-9-7-5-2/h23-24,41H,4-22,25-40H2,1-3H3/b24-23+
- InChI Key
- BPCWOJVVAONZEV-WCWDXBQESA-N
- Formula
- C41H82
- SMILES
-
CCCCCCCCCCCCCC/C=C/CCCCCCCCCCC
(C)CCCCCCCCCCCCC - Molecular Weight1
- 575.11
- 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 | 1.4731 | Relay (1.0) Calculated Property | |
| ΔfG° | 372.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -812.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 98.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 194.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.872 | Crippen Calculated Property | |
| McVol | 584.250 | ml/mol | McGowan Calculated Property |
| Pc | 385.37 | kPa | Joback Calculated Property |
| Inp | 3997.00 | NIST | |
| Tboil | 709.12 | K | Relay (1.0) Calculated Property |
| Tc | 882.88 | K | Relay (1.0) Calculated Property |
| Tfus | 304.00 | K | Relay (1.0) Calculated Property |
| Vc | 2.244 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [860.93; 2104.52] | 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 | -5.02450e+01 | |||
| Coefficient B | 3.92476e+00 | |||
| Coefficient C | -2.29360e-03 | |||
| Coefficient D | 5.23600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 860.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1074.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1265.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1434.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1585.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1717.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1834.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1936.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2026.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2104.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002257; 0.0000043] | Pa×s | [531.75; 1069.05] |
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 | -1.62664e+01 | |||
| Coefficient B | 4.18506e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 531.75 | |||
| Temperature range, max. | 1069.05 | |||
| η | 0.0002257 | Pa×s | 531.75 | Calculated Property |
| η | 0.0001020 | Pa×s | 591.45 | Calculated Property |
| η | 0.0000533 | Pa×s | 651.15 | Calculated Property |
| η | 0.0000311 | Pa×s | 710.85 | Calculated Property |
| η | 0.0000197 | Pa×s | 770.55 | Calculated Property |
| η | 0.0000133 | Pa×s | 830.25 | Calculated Property |
| η | 0.0000095 | Pa×s | 889.95 | Calculated Property |
| η | 0.0000071 | Pa×s | 949.65 | Calculated Property |
| η | 0.0000054 | Pa×s | 1009.35 | Calculated Property |
| η | 0.0000043 | Pa×s | 1069.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 15-Tetracosene, 27-methyl.
Sources
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