- InChI
- InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h15H,4-14H2,1-3H3
- InChI Key
- JJXRRRGUDICKPR-UHFFFAOYSA-N
- Formula
- C16H32O2
- SMILES
- CCCCCCCCCCC(=O)OCCC(C)C
- Molecular Weight1
- 256.42
- 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).
- 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 | 0.7972 | Relay (1.0) Calculated Property | |
| ΔfG° | -152.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -698.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.107 | Crippen Calculated Property | |
| McVol | 243.740 | ml/mol | McGowan Calculated Property |
| Pc | 1371.74 | kPa | Joback Calculated Property |
| Inp | [1733.00; 1733.00] |
|
|
| Inp | 1733.00 | NIST | |
| Inp | 1733.00 | NIST | |
| I | [1948.00; 1948.00] |
|
|
| I | 1948.00 | NIST | |
| I | 1948.00 | NIST | |
| Tboil | 556.10 | K | Relay (1.0) Calculated Property |
| Tc | 727.41 | K | Relay (1.0) Calculated Property |
| Tfus | 246.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.938 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.23; 773.80] | J/mol×K | [641.33; 810.93] |
|
| Cp,gas | 676.23 | J/mol×K | 641.33 | Joback Calculated Property |
| Cp,gas | 694.40 | J/mol×K | 669.60 | Joback Calculated Property |
| Cp,gas | 711.78 | J/mol×K | 697.86 | Joback Calculated Property |
| Cp,gas | 728.40 | J/mol×K | 726.13 | Joback Calculated Property |
| Cp,gas | 744.26 | J/mol×K | 754.40 | Joback Calculated Property |
| Cp,gas | 759.39 | J/mol×K | 782.67 | Joback Calculated Property |
| Cp,gas | 773.80 | J/mol×K | 810.93 | Joback Calculated Property |
| η | [0.0001135; 0.0031617] | Pa×s | [327.24; 641.33] |
|
| η | 0.0031617 | Pa×s | 327.24 | Joback Calculated Property |
| η | 0.0012389 | Pa×s | 379.59 | Joback Calculated Property |
| η | 0.0006092 | Pa×s | 431.94 | Joback Calculated Property |
| η | 0.0003493 | Pa×s | 484.28 | Joback Calculated Property |
| η | 0.0002232 | Pa×s | 536.63 | Joback Calculated Property |
| η | 0.0001544 | Pa×s | 588.98 | Joback Calculated Property |
| η | 0.0001135 | Pa×s | 641.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isoamyl undecanoate.
Sources
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