- InChI
- InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-14(15)16-12-11-13(2)3/h13H,4-12H2,1-3H3
- InChI Key
- SHGMLOSSRPFLKG-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CCCCCCCCC(=O)OCCC(C)C
- Molecular Weight1
- 228.37
- CAS
- 7779-70-6
- Other Names
-
- Isoamyl nonoate
- Nonanoic acid, isopentyl ester
- isoamyl nonanoate
- isopentyl nonanoate
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.7259 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.326 | Crippen Calculated Property | |
| McVol | 215.560 | ml/mol | McGowan Calculated Property |
| Pc | 1589.81 | kPa | Joback Calculated Property |
| Inp | [1527.00; 1559.00] |
|
|
| Inp | 1559.00 | NIST | |
| Inp | 1527.00 | NIST | |
| Inp | 1533.00 | NIST | |
| I | [1748.00; 1752.00] |
|
|
| I | 1748.00 | NIST | |
| I | 1748.00 | NIST | |
| I | 1752.00 | NIST | |
| I | 1748.00 | NIST | |
| Tboil | 530.00 | K | Relay (1.0) Calculated Property |
| Tc | 701.78 | K | Relay (1.0) Calculated Property |
| Tfus | 229.53 | K | Relay (1.0) Calculated Property |
| Ttriple | 233.20 | K | Influence of Additives (Isoamyl Laurate or Isoamyl Nonanoate) in the Solid-Liquid Equilibrium of Fatty Acid Ethyl Esters |
| Vc | 0.825 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [567.35; 660.10] | J/mol×K | [595.57; 766.26] |
|
| Cp,gas | 567.35 | J/mol×K | 595.57 | Joback Calculated Property |
| Cp,gas | 584.55 | J/mol×K | 624.02 | Joback Calculated Property |
| Cp,gas | 601.04 | J/mol×K | 652.47 | Joback Calculated Property |
| Cp,gas | 616.82 | J/mol×K | 680.91 | Joback Calculated Property |
| Cp,gas | 631.92 | J/mol×K | 709.36 | Joback Calculated Property |
| Cp,gas | 646.34 | J/mol×K | 737.81 | Joback Calculated Property |
| Cp,gas | 660.10 | J/mol×K | 766.26 | Joback Calculated Property |
| η | [0.0001432; 0.0037349] | Pa×s | [304.70; 595.57] |
|
| η | 0.0037349 | Pa×s | 304.70 | Joback Calculated Property |
| η | 0.0014934 | Pa×s | 353.18 | Joback Calculated Property |
| η | 0.0007451 | Pa×s | 401.66 | Joback Calculated Property |
| η | 0.0004318 | Pa×s | 450.13 | Joback Calculated Property |
| η | 0.0002782 | Pa×s | 498.61 | Joback Calculated Property |
| η | 0.0001938 | Pa×s | 547.09 | Joback Calculated Property |
| η | 0.0001432 | Pa×s | 595.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nonanoic acid, 3-methylbutyl ester.
Mixtures
- Dodecanoic acid, ethyl ester + Nonanoic acid, 3-methylbutyl ester
- Tetradecanoic acid, ethyl ester + Nonanoic acid, 3-methylbutyl ester
- Hexadecanoic acid, ethyl ester + Nonanoic acid, 3-methylbutyl ester
- Octadecanoic acid, ethyl ester + Nonanoic acid, 3-methylbutyl ester
- Ethyl Oleate + Nonanoic acid, 3-methylbutyl ester
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Influence of Additives (Isoamyl Laurate or Isoamyl Nonanoate) in the Solid-Liquid Equilibrium of Fatty Acid Ethyl Esters
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.