- InChI
- InChI=1S/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14-15,17H,1,4-5,7,9-11,13,16H2,2H3/b8-6+,14-12+,17-15+
- InChI Key
- JXRNMQDTJAQLAQ-UTZXOHNXSA-N
- Formula
- C17H28
- SMILES
- C=CCCCCC/C=C\C/C=C\C/C=C\CC
- Molecular Weight1
- 232.41
- Other Names
-
- (Z,Z,Z)-1,8,11,14-Heptadecatetraene
- (Z,Z,Z)-heptadeca-1,8,11,14-tetraene
- 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.
- I : 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 | 0.4681 | Relay (1.0) Calculated Property | |
| ΔfG° | 420.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -71.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.982 | Crippen Calculated Property | |
| McVol | 233.190 | ml/mol | McGowan Calculated Property |
| Pc | 1421.85 | kPa | Joback Calculated Property |
| Inp | [1657.00; 1675.70] |
|
|
| Inp | 1675.70 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1657.00 | NIST | |
| I | [1861.00; 1882.00] |
|
|
| I | 1861.00 | NIST | |
| I | 1867.00 | NIST | |
| I | 1867.00 | NIST | |
| I | 1867.00 | NIST | |
| I | 1882.00 | NIST | |
| I | 1882.00 | NIST | |
| I | 1882.00 | NIST | |
| I | 1882.00 | NIST | |
| I | 1882.00 | NIST | |
| I | 1861.00 | NIST | |
| Tboil | 546.36 | K | Relay (1.0) Calculated Property |
| Tc | 717.83 | K | Relay (1.0) Calculated Property |
| Tfus | 219.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.795 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.30; 776.12] | 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 | -5.81020e+01 | |||
| Coefficient B | 1.65882e+00 | |||
| Coefficient C | -1.17530e-03 | |||
| Coefficient D | 3.50700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 314.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 397.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 469.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 532.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 587.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 635.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 676.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 713.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 746.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 776.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037576; 0.0001198] | Pa×s | [264.35; 543.15] |
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 | -1.22975e+01 | |||
| Coefficient B | 1.77472e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 264.35 | |||
| Temperature range, max. | 543.15 | |||
| η | 0.0037576 | Pa×s | 264.35 | Calculated Property |
| η | 0.0018581 | Pa×s | 295.33 | Calculated Property |
| η | 0.0010503 | Pa×s | 326.31 | Calculated Property |
| η | 0.0006554 | Pa×s | 357.28 | Calculated Property |
| η | 0.0004410 | Pa×s | 388.26 | Calculated Property |
| η | 0.0003146 | Pa×s | 419.24 | Calculated Property |
| η | 0.0002351 | Pa×s | 450.22 | Calculated Property |
| η | 0.0001824 | Pa×s | 481.20 | Calculated Property |
| η | 0.0001459 | Pa×s | 512.18 | Calculated Property |
| η | 0.0001198 | Pa×s | 543.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,8,11,14-Heptadecatetraene, (Z,Z,Z)-.
Sources
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