- InChI
- InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-18H2,1-2H3/b7-5+
- InChI Key
- OCKCCFAPMYQFLZ-FNORWQNLSA-N
- Formula
- C18H36
- SMILES
- CCC=CCCCCCCCCCCCCCC
- Molecular Weight1
- 252.48
- CAS
- 7206-19-1
- Other Names
-
- (3E)-3-Octadecene
- (E)-3-Octadecene
- trans-3-Octadecene
- 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 | 0.7196 | Relay (1.0) Calculated Property | |
| ΔfG° | 180.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -338.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.044 | Crippen Calculated Property | |
| McVol | 260.180 | ml/mol | McGowan Calculated Property |
| Pc | 1194.00 | kPa | Joback Calculated Property |
| Inp | [1784.70; 1795.00] |
|
|
| Inp | 1784.70 | NIST | |
| Inp | 1785.30 | NIST | |
| Inp | 1795.00 | NIST | |
| Ip | [1896.00; 1896.00] |
|
|
| Ip | 1896.00 | NIST | |
| Ip | 1896.00 | NIST | |
| Tboil | 562.38 | K | Relay (1.0) Calculated Property |
| Tc | 734.57 | K | Relay (1.0) Calculated Property |
| Tfus | 283.40 ± 2.00 | K | NIST |
| Vc | 1.030 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.33; 917.38] | 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 | -2.76560e+01 | |||
| Coefficient B | 1.73384e+00 | |||
| Coefficient C | -1.03920e-03 | |||
| Coefficient D | 2.50400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 373.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 466.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 550.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 624.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 689.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 747.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 798.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 843.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 882.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 917.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045777; 0.0001591] | Pa×s | [283.40; 545.51] |
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 | -1.23786e+01 | |||
| Coefficient B | 1.98156e+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. | 283.40 | |||
| Temperature range, max. | 545.51 | |||
| η | 0.0045777 | Pa×s | 283.40 | Calculated Property |
| η | 0.0023860 | Pa×s | 312.52 | Calculated Property |
| η | 0.0013898 | Pa×s | 341.65 | Calculated Property |
| η | 0.0008812 | Pa×s | 370.77 | Calculated Property |
| η | 0.0005971 | Pa×s | 399.89 | Calculated Property |
| η | 0.0004265 | Pa×s | 429.02 | Calculated Property |
| η | 0.0003180 | Pa×s | 458.14 | Calculated Property |
| η | 0.0002456 | Pa×s | 487.26 | Calculated Property |
| η | 0.0001952 | Pa×s | 516.38 | Calculated Property |
| η | 0.0001591 | Pa×s | 545.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octadecene, (E)-.
Sources
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