- InChI
- InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-
- InChI Key
- IKYKEVDKGZYRMQ-PDBXOOCHSA-N
- Formula
- C18H32O
- SMILES
- CCC=CCC=CCC=CCCCCCCCCO
- Molecular Weight1
- 264.45
- CAS
- 506-44-5
- Other Names
-
- (Z,Z,Z)-9,12,15-Octadecatrien-1-ol
- (9Z,12Z,15Z)-9,12,15-octadecatrien-1-ol
- 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 | 0.8179 | Relay (1.0) Calculated Property | |
| ΔfG° | 204.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.568 | Crippen Calculated Property | |
| McVol | 257.450 | ml/mol | McGowan Calculated Property |
| Pc | 1373.78 | kPa | Joback Calculated Property |
| Inp | [2057.50; 2058.00] |
|
|
| Inp | 2057.50 | NIST | |
| Inp | 2058.00 | NIST | |
| Inp | 2058.00 | NIST | |
| Inp | 2058.00 | NIST | |
| Inp | 2057.50 | NIST | |
| Tboil | 602.73 | K | Relay (1.0) Calculated Property |
| Tc | 784.88 | K | Relay (1.0) Calculated Property |
| Tfus | 294.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.82; 874.89] | 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 | -5.07290e+01 | |||
| Coefficient B | 1.80782e+00 | |||
| Coefficient C | -1.23720e-03 | |||
| Coefficient D | 3.55000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 357.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 449.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 530.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 600.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 662.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 716.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 763.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 804.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 841.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 874.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053100; 0.0000381] | Pa×s | [338.20; 622.75] |
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 | -1.60413e+01 | |||
| Coefficient B | 3.65363e+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. | 338.20 | |||
| Temperature range, max. | 622.75 | |||
| η | 0.0053100 | Pa×s | 338.20 | Calculated Property |
| η | 0.0021085 | Pa×s | 369.82 | Calculated Property |
| η | 0.0009684 | Pa×s | 401.43 | Calculated Property |
| η | 0.0004983 | Pa×s | 433.05 | Calculated Property |
| η | 0.0002806 | Pa×s | 464.67 | Calculated Property |
| η | 0.0001701 | Pa×s | 496.29 | Calculated Property |
| η | 0.0001094 | Pa×s | 527.90 | Calculated Property |
| η | 0.0000740 | Pa×s | 559.52 | Calculated Property |
| η | 0.0000522 | Pa×s | 591.14 | Calculated Property |
| η | 0.0000381 | Pa×s | 622.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)-.
Sources
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