- InChI
- InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h11,13,17-18H,3-10,12,14-16H2,1-2H3/b13-11-,18-17-
- InChI Key
- LWPSUELGZBFZHK-BCTRXSSUSA-N
- Formula
- C18H34
- SMILES
- CCCCCC=CCC=CCCCCCCCC
- Molecular Weight1
- 250.46
- CAS
- 20389-49-5
- 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).
- 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 | 0.6436 | Relay (1.0) Calculated Property | |
| ΔfG° | 261.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -268.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.820 | Crippen Calculated Property | |
| McVol | 255.880 | ml/mol | McGowan Calculated Property |
| Pc | 1238.09 | kPa | Joback Calculated Property |
| Tboil | 559.83 | K | Relay (1.0) Calculated Property |
| Tc | 730.22 | K | Relay (1.0) Calculated Property |
| Tfus | 256.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.972 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [359.32; 886.80] | 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 | -4.18380e+01 | |||
| Coefficient B | 1.75384e+00 | |||
| Coefficient C | -1.12300e-03 | |||
| Coefficient D | 2.97800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 359.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 451.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 532.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 604.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 667.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 723.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 771.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 814.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 852.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 886.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039210; 0.0001329] | Pa×s | [282.46; 552.04] |
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 | -1.24727e+01 | |||
| Coefficient B | 1.95780e+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. | 282.46 | |||
| Temperature range, max. | 552.04 | |||
| η | 0.0039210 | Pa×s | 282.46 | Calculated Property |
| η | 0.0020173 | Pa×s | 312.41 | Calculated Property |
| η | 0.0011659 | Pa×s | 342.37 | Calculated Property |
| η | 0.0007360 | Pa×s | 372.32 | Calculated Property |
| η | 0.0004975 | Pa×s | 402.27 | Calculated Property |
| η | 0.0003551 | Pa×s | 432.23 | Calculated Property |
| η | 0.0002648 | Pa×s | 462.18 | Calculated Property |
| η | 0.0002046 | Pa×s | 492.14 | Calculated Property |
| η | 0.0001628 | Pa×s | 522.09 | Calculated Property |
| η | 0.0001329 | Pa×s | 552.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 9,12-Octadecadiene.
Sources
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