- InChI
- InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
- InChI Key
- OHIOERKSFVRABL-UHFFFAOYSA-N
- Formula
- C20H40O2
- SMILES
- CCCCCCCCCCCCCCCCC(CC)C(=O)O
- Molecular Weight1
- 312.53
- CAS
- 14276-80-3
- 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 | 1.1064 | Relay (1.0) Calculated Property | |
| ΔfG° | -228.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -810.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.969 | Crippen Calculated Property | |
| McVol | 300.100 | ml/mol | McGowan Calculated Property |
| Pc | 1081.35 | kPa | Joback Calculated Property |
| Inp | [2178.00; 2178.00] |
|
|
| Inp | 2178.00 | NIST | |
| Inp | 2178.00 | NIST | |
| Tboil | 602.28 | K | Relay (1.0) Calculated Property |
| Tc | 817.53 | K | Relay (1.0) Calculated Property |
| Tfus | 309.94 | K | Relay (1.0) Calculated Property |
| Vc | 1.147 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.06; 1062.47] | 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 | -1.23740e+01 | |||
| Coefficient B | 1.96054e+00 | |||
| Coefficient C | -1.14000e-03 | |||
| Coefficient D | 2.54300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 443.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 549.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 645.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 730.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 805.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 871.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 929.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 979.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1024.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1062.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009506; 0.0001091] | Pa×s | [460.76; 690.23] |
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 | -1.34703e+01 | |||
| Coefficient B | 3.00040e+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. | 460.76 | |||
| Temperature range, max. | 690.23 | |||
| η | 0.0009506 | Pa×s | 460.76 | Calculated Property |
| η | 0.0006756 | Pa×s | 486.26 | Calculated Property |
| η | 0.0004968 | Pa×s | 511.75 | Calculated Property |
| η | 0.0003761 | Pa×s | 537.25 | Calculated Property |
| η | 0.0002921 | Pa×s | 562.75 | Calculated Property |
| η | 0.0002318 | Pa×s | 588.24 | Calculated Property |
| η | 0.0001875 | Pa×s | 613.74 | Calculated Property |
| η | 0.0001543 | Pa×s | 639.24 | Calculated Property |
| η | 0.0001289 | Pa×s | 664.73 | Calculated Property |
| η | 0.0001091 | Pa×s | 690.23 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [529.32; 695.16] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.73673e+01 | |||
| Coefficient B | -6.79732e+03 | |||
| Coefficient C | -1.31344e+02 | |||
| Temperature range, min. | 529.32 | |||
| Temperature range, max. | 695.16 | |||
| Pvap | 1.33 | kPa | 529.32 | Calculated Property |
| Pvap | 2.84 | kPa | 547.75 | Calculated Property |
| Pvap | 5.67 | kPa | 566.17 | Calculated Property |
| Pvap | 10.70 | kPa | 584.60 | Calculated Property |
| Pvap | 19.23 | kPa | 603.03 | Calculated Property |
| Pvap | 33.06 | kPa | 621.45 | Calculated Property |
| Pvap | 54.65 | kPa | 639.88 | Calculated Property |
| Pvap | 87.21 | kPa | 658.31 | Calculated Property |
| Pvap | 134.84 | kPa | 676.73 | Calculated Property |
| Pvap | 202.63 | kPa | 695.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethyloctadecanoic 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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