- InChI
- InChI=1S/C11H22O2/c1-5-6-7-10(4)13-11(12)8-9(2)3/h9-10H,5-8H2,1-4H3
- InChI Key
- JPFNSHCQRCLUHR-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCCCC(C)OC(=O)CC(C)C
- Molecular Weight1
- 186.30
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical 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 | 0.5778 | Relay (1.0) Calculated Property | |
| ΔfG° | -197.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.154 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 2043.76 | kPa | Joback Calculated Property |
| Inp | [1152.00; 1153.00] |
|
|
| Inp | 1152.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Tboil | 423.05 | K | Relay (1.0) Calculated Property |
| Tc | 642.72 | K | Relay (1.0) Calculated Property |
| Tfus | 196.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.658 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.72; 500.43] | J/mol×K | [526.49; 704.16] |
|
| Cp,gas | 415.72 | J/mol×K | 526.49 | Joback Calculated Property |
| Cp,gas | 431.38 | J/mol×K | 556.10 | Joback Calculated Property |
| Cp,gas | 446.42 | J/mol×K | 585.71 | Joback Calculated Property |
| Cp,gas | 460.84 | J/mol×K | 615.32 | Joback Calculated Property |
| Cp,gas | 474.64 | J/mol×K | 644.93 | Joback Calculated Property |
| Cp,gas | 487.83 | J/mol×K | 674.54 | Joback Calculated Property |
| Cp,gas | 500.43 | J/mol×K | 704.16 | Joback Calculated Property |
| η | [0.0001825; 0.0066509] | Pa×s | [255.89; 526.49] |
|
| η | 0.0066509 | Pa×s | 255.89 | Joback Calculated Property |
| η | 0.0023315 | Pa×s | 300.99 | Joback Calculated Property |
| η | 0.0010741 | Pa×s | 346.09 | Joback Calculated Property |
| η | 0.0005917 | Pa×s | 391.19 | Joback Calculated Property |
| η | 0.0003687 | Pa×s | 436.29 | Joback Calculated Property |
| η | 0.0002510 | Pa×s | 481.39 | Joback Calculated Property |
| η | 0.0001825 | Pa×s | 526.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanol 3-methylbutanoate.
Sources
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