- InChI
- InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
- InChI Key
- PWKJMPFEQOHBAC-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CCCCC(CC)CCC(=O)O
- Molecular Weight1
- 172.26
- CAS
- 16493-80-4
- 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.
- 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 |
|---|---|---|---|
| ω | 0.7606 | Relay (1.0) Calculated Property | |
| ΔfG° | -313.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -611.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.068 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2309.17 | kPa | Joback Calculated Property |
| Inp | 1333.00 | NIST | |
| I | [2169.00; 2216.00] |
|
|
| I | 2206.00 | NIST | |
| I | 2169.00 | NIST | |
| I | 2216.00 | NIST | |
| I | 2190.00 | NIST | |
| I | 2216.00 | NIST | |
| Tboil | 527.65 ± 4.00 | K | NIST |
| Tc | 716.20 | K | Relay (1.0) Calculated Property |
| Tfus | 235.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.565 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.74; 479.18] | J/mol×K | [573.47; 757.97] |
|
| Cp,gas | 405.74 | J/mol×K | 573.47 | Joback Calculated Property |
| Cp,gas | 419.56 | J/mol×K | 604.22 | Joback Calculated Property |
| Cp,gas | 432.72 | J/mol×K | 634.97 | Joback Calculated Property |
| Cp,gas | 445.23 | J/mol×K | 665.72 | Joback Calculated Property |
| Cp,gas | 457.13 | J/mol×K | 696.47 | Joback Calculated Property |
| Cp,gas | 468.44 | J/mol×K | 727.22 | Joback Calculated Property |
| Cp,gas | 479.18 | J/mol×K | 757.97 | Joback Calculated Property |
| η | [0.0002064; 0.0021104] | Pa×s | [348.06; 573.47] |
|
| η | 0.0021104 | Pa×s | 348.06 | Joback Calculated Property |
| η | 0.0011860 | Pa×s | 385.63 | Joback Calculated Property |
| η | 0.0007384 | Pa×s | 423.20 | Joback Calculated Property |
| η | 0.0004966 | Pa×s | 460.76 | Joback Calculated Property |
| η | 0.0003546 | Pa×s | 498.33 | Joback Calculated Property |
| η | 0.0002654 | Pa×s | 535.90 | Joback Calculated Property |
| η | 0.0002064 | Pa×s | 573.47 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [406.12; 567.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51975e+01 | |||
| Coefficient B | -4.73522e+03 | |||
| Coefficient C | -8.85320e+01 | |||
| Temperature range, min. | 406.12 | |||
| Temperature range, max. | 567.51 | |||
| Pvap | 1.33 | kPa | 406.12 | Calculated Property |
| Pvap | 2.96 | kPa | 424.05 | Calculated Property |
| Pvap | 6.05 | kPa | 441.98 | Calculated Property |
| Pvap | 11.56 | kPa | 459.92 | Calculated Property |
| Pvap | 20.79 | kPa | 477.85 | Calculated Property |
| Pvap | 35.52 | kPa | 495.78 | Calculated Property |
| Pvap | 58.01 | kPa | 513.71 | Calculated Property |
| Pvap | 91.04 | kPa | 531.65 | Calculated Property |
| Pvap | 137.95 | kPa | 549.58 | Calculated Property |
| Pvap | 202.64 | kPa | 567.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethyloctanoic 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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