- InChI
- InChI=1S/C16H26/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,6,8,12-15H,1,4-5,7,9-11,16H2,2H3/b8-6+,14-12+,15-13+
- InChI Key
- YKFPTPBZTVYMMC-POIBZBIISA-N
- Formula
- C16H26
- SMILES
- C=CCCCCC=CCC=CCC=CCC
- Molecular Weight1
- 218.38
- 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.
- Ip : 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 | 0.4182 | Relay (1.0) Calculated Property | |
| ΔfG° | 412.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -77.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.592 | Crippen Calculated Property | |
| McVol | 219.100 | ml/mol | McGowan Calculated Property |
| Pc | 1530.66 | kPa | Joback Calculated Property |
| Inp | 1561.00 | NIST | |
| Ip | [1769.00; 1769.00] |
|
|
| Ip | 1769.00 | NIST | |
| Ip | 1769.00 | NIST | |
| Tboil | 535.88 | K | Relay (1.0) Calculated Property |
| Tc | 702.89 | K | Relay (1.0) Calculated Property |
| Tfus | 241.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.763 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.08; 724.53] | 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 | -5.71930e+01 | |||
| Coefficient B | 1.56382e+00 | |||
| Coefficient C | -1.12090e-03 | |||
| Coefficient D | 3.38800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 293.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 370.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 438.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 497.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 548.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 592.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 631.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 665.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 696.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 724.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040046; 0.0001260] | Pa×s | [253.08; 528.20] |
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 | -1.21607e+01 | |||
| Coefficient B | 1.68056e+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. | 253.08 | |||
| Temperature range, max. | 528.20 | |||
| η | 0.0040046 | Pa×s | 253.08 | Calculated Property |
| η | 0.0019578 | Pa×s | 283.65 | Calculated Property |
| η | 0.0011001 | Pa×s | 314.22 | Calculated Property |
| η | 0.0006847 | Pa×s | 344.79 | Calculated Property |
| η | 0.0004604 | Pa×s | 375.35 | Calculated Property |
| η | 0.0003286 | Pa×s | 405.92 | Calculated Property |
| η | 0.0002459 | Pa×s | 436.49 | Calculated Property |
| η | 0.0001911 | Pa×s | 467.06 | Calculated Property |
| η | 0.0001532 | Pa×s | 497.63 | Calculated Property |
| η | 0.0001260 | Pa×s | 528.20 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,7,10,13-Hexadecatetraene.
Sources
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