- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [253.40; 596.94] | 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 | -7.85700e+00 | |||
| Coefficient B | 1.12580e+00 | |||
| Coefficient C | -6.55000e-04 | |||
| Coefficient D | 1.34000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 253.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 314.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 368.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 416.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 458.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 495.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 527.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 554.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 577.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 596.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0127046; 0.0002136] | Pa×s | [243.48; 481.03] |
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 | -1.26387e+01 | |||
| Coefficient B | 2.01428e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 243.48 | |||
| Temperature range, max. | 481.03 | |||
| η | 0.0127046 | Pa×s | 243.48 | Calculated Property |
| η | 0.0056568 | Pa×s | 269.87 | Calculated Property |
| η | 0.0029093 | Pa×s | 296.27 | Calculated Property |
| η | 0.0016682 | Pa×s | 322.66 | Calculated Property |
| η | 0.0010405 | Pa×s | 349.06 | Calculated Property |
| η | 0.0006935 | Pa×s | 375.45 | Calculated Property |
| η | 0.0004876 | Pa×s | 401.84 | Calculated Property |
| η | 0.0003580 | Pa×s | 428.24 | Calculated Property |
| η | 0.0002724 | Pa×s | 454.63 | Calculated Property |
| η | 0.0002136 | Pa×s | 481.03 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, ethyl ester.
Sources
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