- InChI
- InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3
- InChI Key
- FVKRIDSRWFEQME-UHFFFAOYSA-N
- Formula
- C17H34O2
- SMILES
- CCCCCCCCCCCC(=O)OCCC(C)C
- Molecular Weight1
- 270.45
- CAS
- 6309-51-9
- Other Names
-
- 3-Methylbutyl dodecanoate
- Dodecanoic acid, 3-methylbutyl ester
- Isoamyl dodecanoate
- Isopentyl laurate
- Lauric acid, isopentyl ester
- iso-Amyl n-dodecanoate
- isopentyl dodecanoate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -144.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -644.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.20 | kJ/mol | Joback Calculated Property |
| log10WS | -5.56 | Crippen Calculated Property | |
| logPoct/wat | 5.497 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| Pc | 1279.16 | kPa | Joback Calculated Property |
| Inp | [1829.00; 1870.00] |
|
|
| Inp | Outlier 1870.00 | NIST | |
| Inp | 1844.60 | NIST | |
| Inp | 1847.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Inp | 1851.00 | NIST | |
| Inp | 1844.00 | NIST | |
| Inp | 1829.00 | NIST | |
| Inp | 1844.00 | NIST | |
| Inp | 1844.00 | NIST | |
| I | [2048.00; 2110.00] |
|
|
| I | 2056.00 | NIST | |
| I | 2064.00 | NIST | |
| I | 2059.00 | NIST | |
| I | 2066.00 | NIST | |
| I | Outlier 2110.00 | NIST | |
| I | 2071.00 | NIST | |
| I | 2059.00 | NIST | |
| I | 2048.00 | NIST | |
| Tboil | 664.21 | K | Joback Calculated Property |
| Tc | 833.82 | K | Joback Calculated Property |
| Tfus | 338.51 | K | Joback Calculated Property |
| Ttriple | 258.00 | K | Influen... |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [732.67; 832.34] | J/mol×K | [664.21; 833.82] |
|
| Cp,gas | 732.67 | J/mol×K | 664.21 | Joback Calculated Property |
| Cp,gas | 751.27 | J/mol×K | 692.48 | Joback Calculated Property |
| Cp,gas | 769.05 | J/mol×K | 720.75 | Joback Calculated Property |
| Cp,gas | 786.03 | J/mol×K | 749.02 | Joback Calculated Property |
| Cp,gas | 802.22 | J/mol×K | 777.28 | Joback Calculated Property |
| Cp,gas | 817.65 | J/mol×K | 805.55 | Joback Calculated Property |
| Cp,gas | 832.34 | J/mol×K | 833.82 | Joback Calculated Property |
| η | [0.0001003; 0.0028787] | Pa×s | [338.51; 664.21] |
|
| η | 0.0028787 | Pa×s | 338.51 | Joback Calculated Property |
| η | 0.0011177 | Pa×s | 392.79 | Joback Calculated Property |
| η | 0.0005461 | Pa×s | 447.08 | Joback Calculated Property |
| η | 0.0003116 | Pa×s | 501.36 | Joback Calculated Property |
| η | 0.0001983 | Pa×s | 555.64 | Joback Calculated Property |
| η | 0.0001368 | Pa×s | 609.93 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 664.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isoamyl laurate.
Mixtures
- Isoamyl laurate + Dodecanoic acid, ethyl ester
- Isoamyl laurate + Tetradecanoic acid, ethyl ester
- Isoamyl laurate + Hexadecanoic acid, ethyl ester
- Isoamyl laurate + Octadecanoic acid, ethyl ester
- Isoamyl laurate + Ethyl Oleate
Sources
- 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
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.