- InChI
- InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+
- InChI Key
- SECPZKHBENQXJG-BQYQJAHWSA-N
- Formula
- C16H30O2
- SMILES
- CCCCCCC=CCCCCCCCC(=O)O
- Molecular Weight1
- 254.41
- CAS
- 2091-29-4
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | -101.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -521.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.59 | kJ/mol | Joback Calculated Property |
| log10WS | -5.47 | Crippen Calculated Property | |
| logPoct/wat | 5.328 | Crippen Calculated Property | |
| McVol | 239.440 | ml/mol | McGowan Calculated Property |
| Pc | 1541.49 | kPa | Joback Calculated Property |
| Inp | [1898.00; 1957.00] |
|
|
| Inp | 1898.00 | NIST | |
| Inp | 1916.29 | NIST | |
| Inp | 1942.00 | NIST | |
| Inp | 1948.00 | NIST | |
| Inp | 1938.00 | NIST | |
| Inp | 1911.00 | NIST | |
| Inp | 1942.00 | NIST | |
| Inp | 1949.00 | NIST | |
| Inp | 1949.00 | NIST | |
| Inp | 1957.00 | NIST | |
| Inp | 1898.00 | NIST | |
| Inp | 1942.00 | NIST | |
| I | [2950.00; 2957.00] |
|
|
| I | 2950.00 | NIST | |
| I | 2957.00 | NIST | |
| I | 2950.00 | NIST | |
| Tboil | 715.69 | K | Joback Calculated Property |
| Tc | 887.89 | K | Joback Calculated Property |
| Tfus | 375.75 | K | Joback Calculated Property |
| Vc | 0.936 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [696.79; 779.32] | J/mol×K | [715.69; 887.89] |
|
| Cp,gas | 696.79 | J/mol×K | 715.69 | Joback Calculated Property |
| Cp,gas | 712.23 | J/mol×K | 744.39 | Joback Calculated Property |
| Cp,gas | 726.95 | J/mol×K | 773.09 | Joback Calculated Property |
| Cp,gas | 740.99 | J/mol×K | 801.79 | Joback Calculated Property |
| Cp,gas | 754.38 | J/mol×K | 830.49 | Joback Calculated Property |
| Cp,gas | 767.14 | J/mol×K | 859.19 | Joback Calculated Property |
| Cp,gas | 779.32 | J/mol×K | 887.89 | Joback Calculated Property |
| η | [0.0000302; 0.0034930] | Pa×s | [375.75; 715.69] |
|
| η | 0.0034930 | Pa×s | 375.75 | Joback Calculated Property |
| η | 0.0009417 | Pa×s | 432.41 | Joback Calculated Property |
| η | 0.0003440 | Pa×s | 489.06 | Joback Calculated Property |
| η | 0.0001549 | Pa×s | 545.72 | Joback Calculated Property |
| η | 0.0000810 | Pa×s | 602.38 | Joback Calculated Property |
| η | 0.0000474 | Pa×s | 659.03 | Joback Calculated Property |
| η | 0.0000302 | Pa×s | 715.69 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [486.92; 687.16] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46024e+01 | |||
| Coefficient B | -5.30092e+03 | |||
| Coefficient C | -1.16610e+02 | |||
| Temperature range, min. | 486.92 | |||
| Temperature range, max. | 687.16 | |||
| Pvap | 1.33 | kPa | 486.92 | Calculated Property |
| Pvap | 3.00 | kPa | 509.17 | Calculated Property |
| Pvap | 6.19 | kPa | 531.42 | Calculated Property |
| Pvap | 11.87 | kPa | 553.67 | Calculated Property |
| Pvap | 21.35 | kPa | 575.92 | Calculated Property |
| Pvap | 36.40 | kPa | 598.16 | Calculated Property |
| Pvap | 59.18 | kPa | 620.41 | Calculated Property |
| Pvap | 92.35 | kPa | 642.66 | Calculated Property |
| Pvap | 139.01 | kPa | 664.91 | Calculated Property |
| Pvap | 202.66 | kPa | 687.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 9-Hexadecenoic acid.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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