- InChI
- InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h6-7,9-10,17H,2-5,8,11-16H2,1H3/b7-6-,10-9-
- InChI Key
- JEBIMSVVDVTZIY-HZJYTTRNSA-N
- Formula
- C17H30O
- SMILES
- CCCCCC=CCC=CCCCCCCC=O
- Molecular Weight1
- 250.42
- 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 | 0.6702 | Relay (1.0) Calculated Property | |
| ΔfG° | 153.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.609 | Crippen Calculated Property | |
| McVol | 243.360 | ml/mol | McGowan Calculated Property |
| Pc | 1400.64 | kPa | Joback Calculated Property |
| Inp | [1846.00; 1863.00] |
|
|
| Inp | 1846.00 | NIST | |
| Inp | 1863.00 | NIST | |
| Inp | 1846.00 | NIST | |
| Inp | 1863.00 | NIST | |
| Tboil | 575.58 | K | Relay (1.0) Calculated Property |
| Tc | 762.51 | K | Relay (1.0) Calculated Property |
| Tfus | 278.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.884 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.02; 825.99] | 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 | -2.95290e+01 | |||
| Coefficient B | 1.63332e+00 | |||
| Coefficient C | -1.06160e-03 | |||
| Coefficient D | 2.83800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 343.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 428.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 503.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 569.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 626.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 677.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 722.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 760.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 795.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 825.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033384; 0.0001693] | Pa×s | [313.19; 573.77] |
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 | -1.22678e+01 | |||
| Coefficient B | 2.05627e+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. | 313.19 | |||
| Temperature range, max. | 573.77 | |||
| η | 0.0033384 | Pa×s | 313.19 | Calculated Property |
| η | 0.0019153 | Pa×s | 342.14 | Calculated Property |
| η | 0.0011984 | Pa×s | 371.10 | Calculated Property |
| η | 0.0008025 | Pa×s | 400.05 | Calculated Property |
| η | 0.0005673 | Pa×s | 429.00 | Calculated Property |
| η | 0.0004190 | Pa×s | 457.95 | Calculated Property |
| η | 0.0003208 | Pa×s | 486.91 | Calculated Property |
| η | 0.0002531 | Pa×s | 515.86 | Calculated Property |
| η | 0.0002048 | Pa×s | 544.81 | Calculated Property |
| η | 0.0001693 | Pa×s | 573.77 | Calculated Property |
Similar Compounds
Find more compounds similar to (8Z,11Z)-Heptadecadienal.
Sources
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