- InChI
- InChI=1S/C11H22O2/c1-6-13-10(12)7-9(2)8-11(3,4)5/h9H,6-8H2,1-5H3
- InChI Key
- NMZMQQBBZRGLPJ-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCOC(=O)CC(C)CC(C)(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).
- 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).
- 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 | 0.5004 | Relay (1.0) Calculated Property | |
| ΔfG° | -268.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.012 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 1989.43 | kPa | Joback Calculated Property |
| Inp | [1151.00; 1151.00] |
|
|
| Inp | 1151.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Tboil | 452.16 | K | Relay (1.0) Calculated Property |
| Tc | 646.00 | K | Relay (1.0) Calculated Property |
| Tfus | 224.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.625 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.36; 499.95] | J/mol×K | [505.83; 687.18] |
|
| Cp,gas | 411.36 | J/mol×K | 505.83 | Joback Calculated Property |
| Cp,gas | 428.06 | J/mol×K | 536.06 | Joback Calculated Property |
| Cp,gas | 443.95 | J/mol×K | 566.28 | Joback Calculated Property |
| Cp,gas | 459.07 | J/mol×K | 596.51 | Joback Calculated Property |
| Cp,gas | 473.43 | J/mol×K | 626.73 | Joback Calculated Property |
| Cp,gas | 487.05 | J/mol×K | 656.96 | Joback Calculated Property |
| Cp,gas | 499.95 | J/mol×K | 687.18 | Joback Calculated Property |
| η | [0.0001740; 0.0127046] | Pa×s | [243.48; 505.83] |
|
| η | 0.0127046 | Pa×s | 243.48 | Joback Calculated Property |
| η | 0.0036056 | Pa×s | 287.21 | Joback Calculated Property |
| η | 0.0014273 | Pa×s | 330.93 | Joback Calculated Property |
| η | 0.0007015 | Pa×s | 374.65 | Joback Calculated Property |
| η | 0.0003999 | Pa×s | 418.38 | Joback Calculated Property |
| η | 0.0002536 | Pa×s | 462.11 | Joback Calculated Property |
| η | 0.0001740 | Pa×s | 505.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, ethyl ester.
Sources
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