- InChI
- InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3
- InChI Key
- JNDDPBOKWCBQSM-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CCCCCCCCCCCCC(=O)OC
- Molecular Weight1
- 228.37
- CAS
- 1731-88-0
- Other Names
-
- Methyl ester of tridecanoic acid
- Methyl n-tridecanoate
- Methyl tridecanoate
- Methyl tridecanoate ester
- n-Tridecanoic acid methyl ester
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -8792.40 ± 1.80 | kJ/mol | NIST |
| ΔfG° | -166.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.57 | kJ/mol | Heat Ca... |
| ΔvapH° | [80.00; 82.70] | kJ/mol |
|
| ΔvapH° | 82.68 | kJ/mol | NIST |
| ΔvapH° | 80.00 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 81.30 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 82.68 ± 0.84 | kJ/mol | NIST |
| ΔvapH° | 82.70 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 81.60 ± 4.20 | kJ/mol | NIST |
| log10WS | -4.55 | Crippen 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 | [275.62; 1631.00] |
|
|
| Inp | 1624.40 | NIST | |
| Inp | 1609.00 | NIST | |
| Inp | 1608.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Inp | Outlier 275.62 | NIST | |
| Inp | 1622.00 | NIST | |
| Inp | 1609.00 | NIST | |
| Inp | 1615.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Inp | 1622.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1625.00 | NIST | |
| Inp | 1624.40 | NIST | |
| Inp | 1606.00 | NIST | |
| Inp | 1608.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | 1626.00 | NIST | |
| Inp | 1617.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Inp | Outlier 275.62 | NIST | |
| Inp | Outlier 275.62 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | 1631.00 | NIST | |
| I | [1866.00; 1936.00] |
|
|
| I | 1921.00 | NIST | |
| I | 1906.00 | NIST | |
| I | 1936.00 | NIST | |
| I | Outlier 1866.00 | NIST | |
| I | 1911.00 | NIST | |
| I | 1913.00 | NIST | |
| I | 1921.00 | NIST | |
| I | 1895.00 | NIST | |
| I | 1906.00 | NIST | |
| I | 1911.00 | NIST | |
| Tboil | 596.01 | K | Joback Calculated Property |
| Tc | 764.02 | K | Joback Calculated Property |
| Tfus | [278.25; 279.00] | K |
|
| Tfus | 278.25 ± 0.35 | K | NIST |
| Tfus | 279.00 ± 0.05 | K | NIST |
| Vc | 0.844 | m3/kmol | Joback 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 |
| ΔvapH | [72.30; 80.70] | kJ/mol | [298.15; 440.50] |
|
| ΔvapH | 80.70 | kJ/mol | 298.15 | the vap... |
| ΔvapH | 74.00 | kJ/mol | 350.00 | NIST |
| ΔvapH | 72.30 ± 0.10 | kJ/mol | 368.00 | NIST |
| ΔvapH | 72.60 | kJ/mol | 440.50 | NIST |
| Pvap | [2.39e-04; 0.03] | kPa | [298.15; 355.15] |
|
| Pvap | 2.39e-04 | kPa | 298.15 | Fatty a... |
| Pvap | 3.02e-04 | kPa | 300.15 | Fatty a... |
| Pvap | 4.10e-04 | kPa | 303.25 | Fatty a... |
| Pvap | 4.85e-04 | kPa | 305.15 | Fatty a... |
| Pvap | 6.97e-04 | kPa | 308.15 | Fatty a... |
| Pvap | 7.99e-04 | kPa | 310.15 | Fatty a... |
| Pvap | 1.12e-03 | kPa | 313.35 | Fatty a... |
| Pvap | 1.30e-03 | kPa | 315.05 | Fatty a... |
| Pvap | 1.74e-03 | kPa | 318.25 | Fatty a... |
| Pvap | 2.03e-03 | kPa | 320.15 | Fatty a... |
| Pvap | 2.58e-03 | kPa | 323.25 | Fatty a... |
| Pvap | 3.14e-03 | kPa | 325.05 | Fatty a... |
| Pvap | 4.15e-03 | kPa | 328.15 | Fatty a... |
| Pvap | 4.92e-03 | kPa | 330.15 | Fatty a... |
| Pvap | 6.26e-03 | kPa | 333.15 | Fatty a... |
| Pvap | 7.39e-03 | kPa | 335.15 | Fatty a... |
| Pvap | 9.34e-03 | kPa | 338.15 | Fatty a... |
| Pvap | 0.01 | kPa | 340.15 | Fatty a... |
| Pvap | 0.01 | kPa | 343.05 | Fatty a... |
| Pvap | 0.02 | kPa | 345.15 | Fatty a... |
| Pvap | 0.02 | kPa | 348.15 | Fatty a... |
| Pvap | 0.02 | kPa | 350.15 | Fatty a... |
| Pvap | 0.03 | kPa | 353.15 | Fatty a... |
| Pvap | 0.03 | kPa | 355.15 | Fatty a... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [365.70; 404.20] | K | [0.10; 0.50] |
|
| Tboilr | 365.70 | K | 0.10 | NIST |
| Tboilr | 404.20 | K | 0.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [413.32; 574.61] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53067e+01 | |||
| Coefficient B | -4.81958e+03 | |||
| Coefficient C | -9.24240e+01 | |||
| Temperature range, min. | 413.32 | |||
| Temperature range, max. | 574.61 | |||
| Pvap | 1.33 | kPa | 413.32 | Calculated Property |
| Pvap | 2.95 | kPa | 431.24 | Calculated Property |
| Pvap | 6.03 | kPa | 449.16 | Calculated Property |
| Pvap | 11.51 | kPa | 467.08 | Calculated Property |
| Pvap | 20.70 | kPa | 485.00 | Calculated Property |
| Pvap | 35.38 | kPa | 502.93 | Calculated Property |
| Pvap | 57.81 | kPa | 520.85 | Calculated Property |
| Pvap | 90.81 | kPa | 538.77 | Calculated Property |
| Pvap | 137.78 | kPa | 556.69 | Calculated Property |
| Pvap | 202.65 | kPa | 574.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Tridecanoic acid, methyl ester.
Sources
- Crippen Method
- Crippen Method
- Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
- the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
- Heat Capacity Measurements of 13 Methyl Esters of n-Carboxylic Acids from Methyloctanoate to Methyleicosanoate between 5 K and 350 K
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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