- InChI
- InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h5-6,8-9H,2-4,7,10-16H2,1H3,(H,18,19)/b6-5-,9-8-
- InChI Key
- LEIXEEFBKOMCEQ-AFJQJTPPSA-N
- Formula
- C17H30O2
- SMILES
- CCCCC=CCC=CCCCCCCCC(=O)O
- Molecular Weight1
- 266.42
- 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 | 0.9066 | Relay (1.0) Calculated Property | |
| ΔfG° | -91.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -614.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.494 | Crippen Calculated Property | |
| McVol | 249.230 | ml/mol | McGowan Calculated Property |
| Pc | 1416.50 | kPa | Joback Calculated Property |
| Inp | [2179.00; 2179.00] |
|
|
| Inp | 2179.00 | NIST | |
| Inp | 2179.00 | NIST | |
| Tboil | 598.74 | K | Relay (1.0) Calculated Property |
| Tc | 795.55 | K | Relay (1.0) Calculated Property |
| Tfus | 303.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.901 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.73; 845.99] | 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 | -3.63290e+01 | |||
| Coefficient B | 1.70962e+00 | |||
| Coefficient C | -1.14120e-03 | |||
| Coefficient D | 3.13900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 351.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 439.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 516.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 584.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 643.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 695.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 740.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 779.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 814.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 845.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009359; 0.0001212] | Pa×s | [431.79; 649.63] |
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 | -1.30709e+01 | |||
| Coefficient B | 2.63258e+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. | 431.79 | |||
| Temperature range, max. | 649.63 | |||
| η | 0.0009359 | Pa×s | 431.79 | Calculated Property |
| η | 0.0006771 | Pa×s | 455.99 | Calculated Property |
| η | 0.0005062 | Pa×s | 480.20 | Calculated Property |
| η | 0.0003891 | Pa×s | 504.40 | Calculated Property |
| η | 0.0003064 | Pa×s | 528.61 | Calculated Property |
| η | 0.0002464 | Pa×s | 552.81 | Calculated Property |
| η | 0.0002017 | Pa×s | 577.01 | Calculated Property |
| η | 0.0001679 | Pa×s | 601.22 | Calculated Property |
| η | 0.0001417 | Pa×s | 625.42 | Calculated Property |
| η | 0.0001212 | Pa×s | 649.63 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-Linoleic acid.
Sources
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