- InChI
- InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3-13H2,1-2H3
- InChI Key
- ILQYZJGHYZFJPP-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CCCCCCCCCCC(=O)OCCC
- Molecular Weight1
- 228.37
- 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 | 0.7621 | Relay (... Calculated Property | |
| ΔfG° | -166.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.94 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.60 | kJ/mol | Relay (... Calculated Property |
| IE | 9.56 | eV | Relay (... Calculated Property |
| log10WS | -4.83 | Relay (... Calculated Property | |
| logPoct/wat | 4.470 | Crippen Calculated Property | |
| McVol | 215.560 | ml/mol | McGowan Calculated Property |
| Pc | 1579.71 | kPa | Joback Calculated Property |
| Inp | [1571.00; 1576.00] |
|
|
| Inp | 1571.00 | NIST | |
| Inp | 1576.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1576.00 | NIST | |
| I | [1797.00; 1797.00] |
|
|
| I | 1797.00 | NIST | |
| I | 1797.00 | NIST | |
| Tboil | 537.55 | K | Relay (... Calculated Property |
| Tc | 712.55 | K | Relay (... Calculated Property |
| Tfus | 257.71 | K | Relay (... Calculated Property |
| Vc | 0.841 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [567.02; 658.29] | J/mol×K | [596.01; 764.02] |
|
| Cp,gas | 567.02 | J/mol×K | 596.01 | Joback Calculated Property |
| Cp,gas | 583.90 | J/mol×K | 624.01 | Joback Calculated Property |
| Cp,gas | 600.10 | J/mol×K | 652.01 | Joback Calculated Property |
| Cp,gas | 615.63 | J/mol×K | 680.02 | Joback Calculated Property |
| Cp,gas | 630.49 | J/mol×K | 708.02 | Joback Calculated Property |
| Cp,gas | 644.71 | J/mol×K | 736.02 | Joback Calculated Property |
| Cp,gas | 658.29 | J/mol×K | 764.02 | Joback Calculated Property |
| η | [0.0001532; 0.0027735] | Pa×s | [319.70; 596.01] |
|
| η | 0.0027735 | Pa×s | 319.70 | Joback Calculated Property |
| η | 0.0012632 | Pa×s | 365.75 | Joback Calculated Property |
| η | 0.0006860 | Pa×s | 411.80 | Joback Calculated Property |
| η | 0.0004212 | Pa×s | 457.86 | Joback Calculated Property |
| η | 0.0002827 | Pa×s | 503.91 | Joback Calculated Property |
| η | 0.0002029 | Pa×s | 549.96 | Joback Calculated Property |
| η | 0.0001532 | Pa×s | 596.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propyl undecanoate.
Sources
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