- InChI
- InChI=1S/C40H80/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-40(3)38-36-34-32-30-15-13-11-9-7-5-2/h24-25,40H,4-23,26-39H2,1-3H3/b25-24+
- InChI Key
- ZCANRQAGEKVESN-OCOZRVBESA-N
- Formula
- C40H80
- SMILES
-
CCCCCCCCCCCCCCCC=CCCCCCCCCCC(C
)CCCCCCCCCCCC - Molecular Weight1
- 561.06
- 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 | 1.4387 | Relay (1.0) Calculated Property | |
| ΔfG° | 363.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -822.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 96.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 188.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.482 | Crippen Calculated Property | |
| McVol | 570.160 | ml/mol | McGowan Calculated Property |
| Pc | 400.32 | kPa | Joback Calculated Property |
| Inp | 3902.00 | NIST | |
| Tboil | 706.80 | K | Relay (1.0) Calculated Property |
| Tc | 875.59 | K | Relay (1.0) Calculated Property |
| Tfus | 298.54 | K | Relay (1.0) Calculated Property |
| Vc | 2.194 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [839.71; 2052.92] | 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 | -4.93360e+01 | |||
| Coefficient B | 3.82976e+00 | |||
| Coefficient C | -2.23920e-03 | |||
| Coefficient D | 5.11700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 839.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1047.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1234.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1399.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1546.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1675.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1789.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1889.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1976.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2052.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002659; 0.0000054] | Pa×s | [520.48; 1034.33] |
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 | -1.60921e+01 | |||
| Coefficient B | 4.09090e+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. | 520.48 | |||
| Temperature range, max. | 1034.33 | |||
| η | 0.0002659 | Pa×s | 520.48 | Calculated Property |
| η | 0.0001223 | Pa×s | 577.57 | Calculated Property |
| η | 0.0000647 | Pa×s | 634.67 | Calculated Property |
| η | 0.0000380 | Pa×s | 691.76 | Calculated Property |
| η | 0.0000242 | Pa×s | 748.86 | Calculated Property |
| η | 0.0000164 | Pa×s | 805.95 | Calculated Property |
| η | 0.0000117 | Pa×s | 863.05 | Calculated Property |
| η | 0.0000088 | Pa×s | 920.14 | Calculated Property |
| η | 0.0000068 | Pa×s | 977.24 | Calculated Property |
| η | 0.0000054 | Pa×s | 1034.33 | Calculated Property |
Similar Compounds
Find more compounds similar to 16-Nonatricosene, 27-methyl.
Sources
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