- InChI
- InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h3-13H2,1-2H3
- InChI Key
- YYOMLCJPYHLLRY-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CCCCCCCCCCCOC(=O)CC
- Molecular Weight1
- 228.38
- 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.
- Ip : 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 | 0.7601 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -649.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.470 | Crippen Calculated Property | |
| McVol | 215.560 | ml/mol | McGowan Calculated Property |
| Pc | 1529.46 | kPa | Joback Calculated Property |
| Inp | [1564.00; 1581.00] |
|
|
| Inp | 1575.00 | NIST | |
| Inp | 1578.00 | NIST | |
| Inp | 1578.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Inp | 1576.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1572.00 | NIST | |
| Inp | 1581.00 | NIST | |
| Inp | 1575.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Ip | [1813.00; 1886.00] |
|
|
| Ip | 1831.00 | NIST | |
| Ip | 1813.00 | NIST | |
| Ip | 1853.00 | NIST | |
| Ip | 1854.00 | NIST | |
| Ip | 1853.00 | NIST | |
| Ip | 1861.00 | NIST | |
| Ip | 1886.00 | NIST | |
| Tboil | 535.82 | K | Relay (1.0) Calculated Property |
| Tc | 717.45 | K | Relay (1.0) Calculated Property |
| Tfus | 261.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.847 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.81; 749.71] | 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 | 1.55710e+01 | |||
| Coefficient B | 1.27904e+00 | |||
| Coefficient C | -6.43200e-04 | |||
| Coefficient D | 9.83000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 318.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 391.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 457.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 517.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 570.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 617.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 658.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 693.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 724.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 749.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045126; 0.0002063] | Pa×s | [289.87; 520.52] |
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 | -1.23640e+01 | |||
| Coefficient B | 2.01840e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 289.87 | |||
| Temperature range, max. | 520.52 | |||
| η | 0.0045126 | Pa×s | 289.87 | Calculated Property |
| η | 0.0025632 | Pa×s | 315.50 | Calculated Property |
| η | 0.0015851 | Pa×s | 341.13 | Calculated Property |
| η | 0.0010483 | Pa×s | 366.75 | Calculated Property |
| η | 0.0007318 | Pa×s | 392.38 | Calculated Property |
| η | 0.0005338 | Pa×s | 418.01 | Calculated Property |
| η | 0.0004039 | Pa×s | 443.64 | Calculated Property |
| η | 0.0003150 | Pa×s | 469.27 | Calculated Property |
| η | 0.0002521 | Pa×s | 494.89 | Calculated Property |
| η | 0.0002063 | Pa×s | 520.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, undecyl ester.
Sources
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