- InChI
- InChI=1S/C18H32/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,10,12,14,16H,1,4-9,11,13,15,17-18H2,2H3/b12-10+,16-14-
- InChI Key
- XWCKCHRCDXCUHK-OMGSKEOWSA-N
- Formula
- C18H32
- SMILES
- C=CCCCCCCCC/C=C/C=C\CCCC
- Molecular Weight1
- 248.45
- 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 | 0.6309 | Relay (1.0) Calculated Property | |
| ΔfG° | 348.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.596 | Crippen Calculated Property | |
| McVol | 251.580 | ml/mol | McGowan Calculated Property |
| Pc | 1275.51 | kPa | Joback Calculated Property |
| Inp | [1685.00; 1685.00] |
|
|
| Inp | 1685.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Tboil | 568.32 | K | Relay (1.0) Calculated Property |
| Tc | 737.12 | K | Relay (1.0) Calculated Property |
| Tfus | 253.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.923 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.51; 858.29] | 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 | -4.48290e+01 | |||
| Coefficient B | 1.73382e+00 | |||
| Coefficient C | -1.14590e-03 | |||
| Coefficient D | 3.15200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 349.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 439.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 518.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 587.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 648.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 701.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 748.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 789.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 825.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 858.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036935; 0.0001349] | Pa×s | [280.70; 551.31] |
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 | -1.23437e+01 | |||
| Coefficient B | 1.89264e+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. | 280.70 | |||
| Temperature range, max. | 551.31 | |||
| η | 0.0036935 | Pa×s | 280.70 | Calculated Property |
| η | 0.0019236 | Pa×s | 310.77 | Calculated Property |
| η | 0.0011241 | Pa×s | 340.84 | Calculated Property |
| η | 0.0007166 | Pa×s | 370.90 | Calculated Property |
| η | 0.0004888 | Pa×s | 400.97 | Calculated Property |
| η | 0.0003516 | Pa×s | 431.04 | Calculated Property |
| η | 0.0002641 | Pa×s | 461.11 | Calculated Property |
| η | 0.0002054 | Pa×s | 491.18 | Calculated Property |
| η | 0.0001645 | Pa×s | 521.24 | Calculated Property |
| η | 0.0001349 | Pa×s | 551.31 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,E-11,Z-13-OCTADECATRIENE.
Sources
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