- InChI
- InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,12,14-15,17H,1,4-11,13,16H2,2H3/b14-12-,17-15-
- InChI Key
- XFZBIINLEPBMDY-NERFDCTISA-N
- Formula
- C17H30
- SMILES
- C=CCCCCCC=CCC=CCCCCC
- Molecular Weight1
- 234.42
- CAS
- 56134-03-3
- Other Names
-
- Dihydroaplotaxene
- (Z,Z)-heptadeca-1,8,11-triene
- 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 | 0.5616 | Relay (1.0) Calculated Property | |
| ΔfG° | 340.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.206 | Crippen Calculated Property | |
| McVol | 237.490 | ml/mol | McGowan Calculated Property |
| Pc | 1367.69 | kPa | Joback Calculated Property |
| Inp | [1655.00; 1664.60] |
|
|
| Inp | 1655.00 | NIST | |
| Inp | 1664.60 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | 1655.00 | NIST | |
| I | [1787.00; 1805.00] |
|
|
| I | 1787.00 | NIST | |
| I | 1805.00 | NIST | |
| I | 1805.00 | NIST | |
| Tboil | 556.83 | K | Relay (1.0) Calculated Property |
| Tc | 717.60 | K | Relay (1.0) Calculated Property |
| Tfus | 246.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.863 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.30; 806.70] | 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 | -4.39200e+01 | |||
| Coefficient B | 1.63882e+00 | |||
| Coefficient C | -1.09150e-03 | |||
| Coefficient D | 3.03300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 328.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 412.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 487.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 552.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 609.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 659.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 703.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 741.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 775.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 806.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039750; 0.0001439] | Pa×s | [269.43; 535.87] |
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 | -1.22029e+01 | |||
| Coefficient B | 1.79848e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 269.43 | |||
| Temperature range, max. | 535.87 | |||
| η | 0.0039750 | Pa×s | 269.43 | Calculated Property |
| η | 0.0020527 | Pa×s | 299.03 | Calculated Property |
| η | 0.0011941 | Pa×s | 328.64 | Calculated Property |
| η | 0.0007597 | Pa×s | 358.24 | Calculated Property |
| η | 0.0005179 | Pa×s | 387.85 | Calculated Property |
| η | 0.0003727 | Pa×s | 417.45 | Calculated Property |
| η | 0.0002802 | Pa×s | 447.06 | Calculated Property |
| η | 0.0002183 | Pa×s | 476.66 | Calculated Property |
| η | 0.0001750 | Pa×s | 506.27 | Calculated Property |
| η | 0.0001439 | Pa×s | 535.87 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z,Z)-1,8,11-Heptadecatriene.
Sources
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