- InChI
- InChI=1S/C9H18O2/c1-4-6-7(3)8(5-2)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
- InChI Key
- KVHVVWNXJWZHGB-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCC(C)C(CC)C(=O)O
- Molecular Weight1
- 158.24
- CAS
- 74581-94-5
- 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).
- 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° | -245.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.28 | kJ/mol | Joback Calculated Property |
| log10WS | -2.21 | Crippen Calculated Property | |
| logPoct/wat | 2.533 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| Tboil | 550.49 | K | Joback Calculated Property |
| Tc | 724.45 | K | Joback Calculated Property |
| Tfus | 271.94 | K | Joback Calculated Property |
| Vc | 0.552 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.90; 421.50] | J/mol×K | [550.49; 724.45] | 
|
| Cp,gas | 355.90 | J/mol×K | 550.49 | Joback Calculated Property |
| Cp,gas | 368.12 | J/mol×K | 579.48 | Joback Calculated Property |
| Cp,gas | 379.81 | J/mol×K | 608.48 | Joback Calculated Property |
| Cp,gas | 390.98 | J/mol×K | 637.47 | Joback Calculated Property |
| Cp,gas | 401.64 | J/mol×K | 666.46 | Joback Calculated Property |
| Cp,gas | 411.80 | J/mol×K | 695.45 | Joback Calculated Property |
| Cp,gas | 421.50 | J/mol×K | 724.45 | Joback Calculated Property |
| η | [0.0001102; 0.0424192] | Pa×s | [271.94; 550.49] |
|
| η | 0.0424192 | Pa×s | 271.94 | Joback Calculated Property |
| η | 0.0076296 | Pa×s | 318.37 | Joback Calculated Property |
| η | 0.0021236 | Pa×s | 364.79 | Joback Calculated Property |
| η | 0.0007890 | Pa×s | 411.22 | Joback Calculated Property |
| η | 0.0003583 | Pa×s | 457.64 | Joback Calculated Property |
| η | 0.0001882 | Pa×s | 504.07 | Joback Calculated Property |
| η | 0.0001102 | Pa×s | 550.49 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [385.32; 552.97] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44217e+01 | |||
| Coefficient B | -4.29700e+03 | |||
| Coefficient C | -8.13040e+01 | |||
| Temperature range, min. | 385.32 | |||
| Temperature range, max. | 552.97 | |||
| Pvap | 1.33 | kPa | 385.32 | Calculated Property |
| Pvap | 3.02 | kPa | 403.95 | Calculated Property |
| Pvap | 6.24 | kPa | 422.58 | Calculated Property |
| Pvap | 11.97 | kPa | 441.20 | Calculated Property |
| Pvap | 21.54 | kPa | 459.83 | Calculated Property |
| Pvap | 36.68 | kPa | 478.46 | Calculated Property |
| Pvap | 59.56 | kPa | 497.09 | Calculated Property |
| Pvap | 92.77 | kPa | 515.71 | Calculated Property |
| Pvap | 139.33 | kPa | 534.34 | Calculated Property |
| Pvap | 202.64 | kPa | 552.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethyl-3-methylhexanoic acid.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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