- InChI
- InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3
- InChI Key
- IAFQYUQIAOWKSB-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CCCCCCCCCCC(=O)OCC
- Molecular Weight1
- 214.34
- CAS
- 627-90-7
- Other Names
-
- Ethyl n-undecanoate
- Ethyl undecylate
- ethyl undecanoate
- n-Undecanoic acid ethyl ester
- 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.7155 | Relay (1.0) Calculated Property | |
| ΔfG° | -251.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -705.40 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 36.10 | kJ/mol | Thermal properties of Ethyl Undecanoate and Ethyl Tridecanoate by Adiabatic Calorimetry |
| ΔvapH° | [71.40; 72.00] | kJ/mol |
|
| ΔvapH° | 72.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 71.40 | kJ/mol | NIST |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.080 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1651.11 | kPa | Joback Calculated Property |
| Inp | [1475.00; 1498.00] |
|
|
| Inp | 1476.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1495.40 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1495.40 | NIST | |
| Inp | 1479.00 | NIST | |
| I | [1725.00; 1775.00] |
|
|
| I | 1744.00 | NIST | |
| I | 1763.00 | NIST | |
| I | 1739.00 | NIST | |
| I | 1775.00 | NIST | |
| I | 1740.00 | NIST | |
| I | 1757.00 | NIST | |
| I | 1774.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1754.00 | NIST | |
| I | 1732.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1732.00 | NIST | |
| I | 1739.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1725.00 | NIST | |
| Tboil | 519.46 | K | Relay (1.0) Calculated Property |
| Tc | 703.00 | K | Relay (1.0) Calculated Property |
| Tfus | 261.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.791 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 36.16 | kJ/mol | 259.20 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.20 | K | 0.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.60; 698.12] | 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 | 1.64800e+01 | |||
| Coefficient B | 1.18404e+00 | |||
| Coefficient C | -5.88800e-04 | |||
| Coefficient D | 8.64000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 297.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 365.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 426.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 482.11 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 531.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 574.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 613.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 646.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 674.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 698.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0048851; 0.0002208] | Pa×s | [278.60; 505.02] |
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 | -1.22284e+01 | |||
| Coefficient B | 1.92424e+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. | 278.60 | |||
| Temperature range, max. | 505.02 | |||
| η | 0.0048851 | Pa×s | 278.60 | Calculated Property |
| η | 0.0027570 | Pa×s | 303.76 | Calculated Property |
| η | 0.0016983 | Pa×s | 328.92 | Calculated Property |
| η | 0.0011207 | Pa×s | 354.07 | Calculated Property |
| η | 0.0007814 | Pa×s | 379.23 | Calculated Property |
| η | 0.0005699 | Pa×s | 404.39 | Calculated Property |
| η | 0.0004313 | Pa×s | 429.55 | Calculated Property |
| η | 0.0003366 | Pa×s | 454.71 | Calculated Property |
| η | 0.0002696 | Pa×s | 479.87 | Calculated Property |
| η | 0.0002208 | Pa×s | 505.02 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [410.00; 555.04] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.63515e+01 | |||
| Coefficient B | -5.12005e+03 | |||
| Coefficient C | -9.12700e+01 | |||
| Temperature range, min. | 410.00 | |||
| Temperature range, max. | 555.04 | |||
| Pvap | 1.33 | kPa | 410.00 | Calculated Property |
| Pvap | 2.89 | kPa | 426.12 | Calculated Property |
| Pvap | 5.83 | kPa | 442.23 | Calculated Property |
| Pvap | 11.06 | kPa | 458.35 | Calculated Property |
| Pvap | 19.88 | kPa | 474.46 | Calculated Property |
| Pvap | 34.10 | kPa | 490.58 | Calculated Property |
| Pvap | 56.07 | kPa | 506.69 | Calculated Property |
| Pvap | 88.84 | kPa | 522.81 | Calculated Property |
| Pvap | 136.18 | kPa | 538.92 | Calculated Property |
| Pvap | 202.64 | kPa | 555.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecanoic acid, ethyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermal properties of Ethyl Undecanoate and Ethyl Tridecanoate by Adiabatic Calorimetry
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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