- InChI
- InChI=1S/C29H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,28-29H,3-10,12,14-16,18,20-22,24,26-27H2,1-2H3/b13-11+,19-17+,25-23+,29-28+
- InChI Key
- BFWBDNQAJZQPIB-WVKOCGEKSA-N
- Formula
- C29H52
- SMILES
-
CCCCCC=CCC=CCC=CCC=CCCCCCCCCCC
CCC - Molecular Weight1
- 400.72
- 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 | 0.8790 | Relay (1.0) Calculated Property | |
| ΔfG° | 514.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -401.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.663 | Crippen Calculated Property | |
| McVol | 402.270 | ml/mol | McGowan Calculated Property |
| Pc | 694.71 | kPa | Joback Calculated Property |
| Inp | [2820.00; 2820.00] |
|
|
| Inp | 2820.00 | NIST | |
| Inp | 2820.00 | NIST | |
| Inp | 2820.00 | NIST | |
| Tboil | 640.22 | K | Relay (1.0) Calculated Property |
| Tc | 819.21 | K | Relay (1.0) Calculated Property |
| Tfus | 279.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.468 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.67; 1393.14] | 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 | -8.02010e+01 | |||
| Coefficient B | 2.83884e+00 | |||
| Coefficient C | -1.88900e-03 | |||
| Coefficient D | 5.23500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 564.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 710.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 839.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 952.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1051.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1138.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1213.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1280.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1339.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1393.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009787; 0.0000288] | Pa×s | [396.27; 754.01] |
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 | -1.43637e+01 | |||
| Coefficient B | 2.94604e+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. | 396.27 | |||
| Temperature range, max. | 754.01 | |||
| η | 0.0009787 | Pa×s | 396.27 | Calculated Property |
| η | 0.0004970 | Pa×s | 436.02 | Calculated Property |
| η | 0.0002826 | Pa×s | 475.77 | Calculated Property |
| η | 0.0001753 | Pa×s | 515.52 | Calculated Property |
| η | 0.0001164 | Pa×s | 555.27 | Calculated Property |
| η | 0.0000817 | Pa×s | 595.01 | Calculated Property |
| η | 0.0000599 | Pa×s | 634.76 | Calculated Property |
| η | 0.0000456 | Pa×s | 674.51 | Calculated Property |
| η | 0.0000357 | Pa×s | 714.26 | Calculated Property |
| η | 0.0000288 | Pa×s | 754.01 | Calculated Property |
Similar Compounds
Find more compounds similar to 6,9,12,15-Nonacosatetraene.
Sources
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