- InChI
- InChI=1S/C17H28O/c1-3-5-7-8-9-10-11-13-15-17-16(18-17)14-12-6-4-2/h3,6,11-13,16-17H,1,4-5,7-10,14-15H2,2H3/b12-6+,13-11+
- InChI Key
- WNXISRDEAZBCKW-LWBHRHKWSA-N
- Formula
- C17H28O
- SMILES
- C=CCCCCC/C=C/CC1OC1C/C=C/CC
- Molecular Weight1
- 248.41
- 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 | 0.5189 | Relay (1.0) Calculated Property | |
| ΔfG° | 307.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -193.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.193 | Crippen Calculated Property | |
| McVol | 232.500 | ml/mol | McGowan Calculated Property |
| Pc | 1461.25 | kPa | Joback Calculated Property |
| Inp | [1815.00; 1815.00] |
|
|
| Inp | 1815.00 | NIST | |
| Inp | 1815.00 | NIST | |
| Ip | [2215.00; 2215.00] |
|
|
| Ip | 2215.00 | NIST | |
| Ip | 2215.00 | NIST | |
| Tboil | 567.92 | K | Relay (1.0) Calculated Property |
| Tc | 750.62 | K | Relay (1.0) Calculated Property |
| Tfus | 273.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.819 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.48; 812.62] | 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 | -7.09020e+01 | |||
| Coefficient B | 1.76022e+00 | |||
| Coefficient C | -1.24240e-03 | |||
| Coefficient D | 3.65700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 324.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 412.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 489.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 556.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 614.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 664.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 708.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 747.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 781.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 812.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021906; 0.0003501] | Pa×s | [309.70; 563.15] |
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 | -1.01979e+01 | |||
| Coefficient B | 1.26182e+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. | 309.70 | |||
| Temperature range, max. | 563.15 | |||
| η | 0.0021906 | Pa×s | 309.70 | Calculated Property |
| η | 0.0015598 | Pa×s | 337.86 | Calculated Property |
| η | 0.0011703 | Pa×s | 366.02 | Calculated Property |
| η | 0.0009148 | Pa×s | 394.18 | Calculated Property |
| η | 0.0007390 | Pa×s | 422.34 | Calculated Property |
| η | 0.0006131 | Pa×s | 450.50 | Calculated Property |
| η | 0.0005199 | Pa×s | 478.67 | Calculated Property |
| η | 0.0004491 | Pa×s | 506.83 | Calculated Property |
| η | 0.0003939 | Pa×s | 534.99 | Calculated Property |
| η | 0.0003501 | Pa×s | 563.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,8,14-Heptadecatriene, 11,12-epoxy.
Sources
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