- InChI
- InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h11,13,15,17H,3-10,12,14,16H2,1-2H3/b13-11+,17-15+
- InChI Key
- JDQICSQQNYKNLY-SBLPRGNDSA-N
- Formula
- C17H32
- SMILES
- CCCCCC=CC=CCCCCCCCC
- Molecular Weight1
- 236.44
- 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 | 0.6441 | Relay (1.0) Calculated Property | |
| ΔfG° | 252.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.430 | Crippen Calculated Property | |
| McVol | 241.790 | ml/mol | McGowan Calculated Property |
| Pc | 1326.17 | kPa | Joback Calculated Property |
| Inp | 1669.00 | NIST | |
| Tboil | 543.77 | K | Relay (1.0) Calculated Property |
| Tc | 724.99 | K | Relay (1.0) Calculated Property |
| Tfus | 284.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.929 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.11; 835.21] | 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 | -4.09290e+01 | |||
| Coefficient B | 1.65884e+00 | |||
| Coefficient C | -1.06860e-03 | |||
| Coefficient D | 2.85900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 338.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 424.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 501.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 569.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 628.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 680.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 726.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 767.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 803.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 835.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042569; 0.0001423] | Pa×s | [271.19; 536.45] |
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 | -1.23313e+01 | |||
| Coefficient B | 1.86364e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 271.19 | |||
| Temperature range, max. | 536.45 | |||
| η | 0.0042569 | Pa×s | 271.19 | Calculated Property |
| η | 0.0021704 | Pa×s | 300.66 | Calculated Property |
| η | 0.0012480 | Pa×s | 330.14 | Calculated Property |
| η | 0.0007857 | Pa×s | 359.61 | Calculated Property |
| η | 0.0005306 | Pa×s | 389.08 | Calculated Property |
| η | 0.0003787 | Pa×s | 418.55 | Calculated Property |
| η | 0.0002826 | Pa×s | 448.03 | Calculated Property |
| η | 0.0002186 | Pa×s | 477.50 | Calculated Property |
| η | 0.0001742 | Pa×s | 506.97 | Calculated Property |
| η | 0.0001423 | Pa×s | 536.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 6(E),8(E)-Heptadecadiene.
Sources
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