- InChI
- InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(4-2)18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
- InChI Key
- YXLHBXPGRDAQSH-UHFFFAOYSA-N
- Formula
- C18H36O2
- SMILES
- CCCCCCCCCCCCCCC(CC)C(=O)O
- Molecular Weight1
- 284.48
- CAS
- 54240-85-6
- 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).
- Pvap : Vapor 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 | 1.0361 | Relay (1.0) Calculated Property | |
| ΔfG° | -245.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -769.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.188 | Crippen Calculated Property | |
| McVol | 271.920 | ml/mol | McGowan Calculated Property |
| Pc | 1232.01 | kPa | Joback Calculated Property |
| Inp | [1979.00; 1979.00] |
|
|
| Inp | 1979.00 | NIST | |
| Inp | 1979.00 | NIST | |
| Tboil | 588.84 | K | Relay (1.0) Calculated Property |
| Tc | 801.89 | K | Relay (1.0) Calculated Property |
| Tfus | 301.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.033 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.64; 959.28] | 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 | -1.05560e+01 | |||
| Coefficient B | 1.77054e+00 | |||
| Coefficient C | -1.03120e-03 | |||
| Coefficient D | 2.30500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 400.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 496.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 583.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 659.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 727.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 786.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 839.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 884.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 924.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 959.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011717; 0.0001397] | Pa×s | [438.22; 655.45] |
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 | -1.31663e+01 | |||
| Coefficient B | 2.81208e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 438.22 | |||
| Temperature range, max. | 655.45 | |||
| η | 0.0011717 | Pa×s | 438.22 | Calculated Property |
| η | 0.0008382 | Pa×s | 462.36 | Calculated Property |
| η | 0.0006199 | Pa×s | 486.49 | Calculated Property |
| η | 0.0004717 | Pa×s | 510.63 | Calculated Property |
| η | 0.0003679 | Pa×s | 534.77 | Calculated Property |
| η | 0.0002931 | Pa×s | 558.90 | Calculated Property |
| η | 0.0002380 | Pa×s | 583.04 | Calculated Property |
| η | 0.0001965 | Pa×s | 607.17 | Calculated Property |
| η | 0.0001646 | Pa×s | 631.31 | Calculated Property |
| η | 0.0001397 | Pa×s | 655.45 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [505.72; 674.26] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.67152e+01 | |||
| Coefficient B | -6.28483e+03 | |||
| Coefficient C | -1.23143e+02 | |||
| Temperature range, min. | 505.72 | |||
| Temperature range, max. | 674.26 | |||
| Pvap | 1.33 | kPa | 505.72 | Calculated Property |
| Pvap | 2.87 | kPa | 524.45 | Calculated Property |
| Pvap | 5.77 | kPa | 543.17 | Calculated Property |
| Pvap | 10.92 | kPa | 561.90 | Calculated Property |
| Pvap | 19.64 | kPa | 580.63 | Calculated Property |
| Pvap | 33.70 | kPa | 599.35 | Calculated Property |
| Pvap | 55.53 | kPa | 618.08 | Calculated Property |
| Pvap | 88.23 | kPa | 636.81 | Calculated Property |
| Pvap | 135.68 | kPa | 655.53 | Calculated Property |
| Pvap | 202.63 | kPa | 674.26 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylhexadecanoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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