- InChI
- InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h3-14H2,1-2H3
- InChI Key
- QJYYMNOTJXIOBP-UHFFFAOYSA-N
- Formula
- C15H30O2
- SMILES
- CCCCCCCCCCCCC(=O)OCC
- Molecular Weight1
- 242.40
- CAS
- 28267-29-0
- Other Names
-
- Tridecanoic acid ethyl ester
- n-Tridecanoic acid ethyl ester
- tridecanoic 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).
- 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 | 0.7864 | Relay (1.0) Calculated Property | |
| ΔfG° | -158.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -679.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.70 | kJ/mol | Thermal properties of Ethyl Undecanoate and Ethyl Tridecanoate by Adiabatic Calorimetry |
| ΔvapH° | 80.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.861 | Crippen Calculated Property | |
| McVol | 229.650 | ml/mol | McGowan Calculated Property |
| Pc | 1465.73 | kPa | Joback Calculated Property |
| Inp | [1675.00; 1700.00] |
|
|
| Inp | 1677.00 | NIST | |
| Inp | 1676.00 | NIST | |
| Inp | 1676.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Inp | 1689.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | Outlier 1700.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Inp | 1687.00 | NIST | |
| I | [1926.00; 1986.00] |
|
|
| I | 1941.00 | NIST | |
| I | 1955.00 | NIST | |
| I | 1940.00 | NIST | |
| I | 1966.00 | NIST | |
| I | 1948.00 | NIST | |
| I | Outlier 1986.00 | NIST | |
| I | 1943.00 | NIST | |
| I | 1946.00 | NIST | |
| I | 1950.00 | NIST | |
| I | 1926.00 | NIST | |
| Tboil | 547.22 | K | Relay (1.0) Calculated Property |
| Tc | 724.70 | K | Relay (1.0) Calculated Property |
| Tfus | 279.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.900 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.74; 714.65] | J/mol×K | [618.89; 786.41] |
|
| Cp,gas | 620.74 | J/mol×K | 618.89 | Joback Calculated Property |
| Cp,gas | 638.14 | J/mol×K | 646.81 | Joback Calculated Property |
| Cp,gas | 654.83 | J/mol×K | 674.73 | Joback Calculated Property |
| Cp,gas | 670.81 | J/mol×K | 702.65 | Joback Calculated Property |
| Cp,gas | 686.10 | J/mol×K | 730.57 | Joback Calculated Property |
| Cp,gas | 700.70 | J/mol×K | 758.49 | Joback Calculated Property |
| Cp,gas | 714.65 | J/mol×K | 786.41 | Joback Calculated Property |
| η | [0.0001371; 0.0025922] | Pa×s | [330.97; 618.89] |
|
| η | 0.0025922 | Pa×s | 330.97 | Joback Calculated Property |
| η | 0.0011647 | Pa×s | 378.96 | Joback Calculated Property |
| η | 0.0006264 | Pa×s | 426.94 | Joback Calculated Property |
| η | 0.0003819 | Pa×s | 474.93 | Joback Calculated Property |
| η | 0.0002549 | Pa×s | 522.92 | Joback Calculated Property |
| η | 0.0001822 | Pa×s | 570.90 | Joback Calculated Property |
| η | 0.0001371 | Pa×s | 618.89 | Joback Calculated Property |
| ΔfusH | 40.70 | kJ/mol | 272.40 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 395.20 | K | 0.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [428.92; 589.12] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56938e+01 | |||
| Coefficient B | -5.10061e+03 | |||
| Coefficient C | -9.78450e+01 | |||
| Temperature range, min. | 428.92 | |||
| Temperature range, max. | 589.12 | |||
| Pvap | 1.33 | kPa | 428.92 | Calculated Property |
| Pvap | 2.93 | kPa | 446.72 | Calculated Property |
| Pvap | 5.95 | kPa | 464.52 | Calculated Property |
| Pvap | 11.33 | kPa | 482.32 | Calculated Property |
| Pvap | 20.38 | kPa | 500.12 | Calculated Property |
| Pvap | 34.87 | kPa | 517.92 | Calculated Property |
| Pvap | 57.13 | kPa | 535.72 | Calculated Property |
| Pvap | 90.04 | kPa | 553.52 | Calculated Property |
| Pvap | 137.15 | kPa | 571.32 | Calculated Property |
| Pvap | 202.64 | kPa | 589.12 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl tridecanoate.
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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