- InChI
- InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3
- InChI Key
- XPQPWPZFBULGKT-UHFFFAOYSA-N
- Formula
- C12H24O2
- SMILES
- CCCCCCCCCCC(=O)OC
- Molecular Weight1
- 200.32
- CAS
- 1731-86-8
- Other Names
-
- Methyl ester of undecanoic acid
- Methyl undecanoate
- Methyl undecylenate
- methyl n-undecanoate
- n-Undecanoic acid methyl ester
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | -7486.50 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -183.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -535.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.20 | kJ/mol | Heat Ca... |
| ΔvapH° | [70.60; 72.40] | kJ/mol |
|
| ΔvapH° | 70.80 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 70.60 | kJ/mol | NIST |
| ΔvapH° | 71.37 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 71.40 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 72.40 | kJ/mol | NIST |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 3.690 | Crippen Calculated Property | |
| McVol | 187.380 | ml/mol | McGowan Calculated Property |
| Pc | 1851.52 | kPa | Joback Calculated Property |
| Inp | [1405.00; 1432.00] |
|
|
| Inp | 1411.00 | NIST | |
| Inp | 1422.00 | NIST | |
| Inp | 1407.00 | NIST | |
| Inp | 1406.00 | NIST | |
| Inp | 1419.00 | NIST | |
| Inp | 1420.00 | NIST | |
| Inp | 1427.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1421.50 | NIST | |
| Inp | 1422.50 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1407.00 | NIST | |
| Inp | 1407.00 | NIST | |
| Inp | 1432.00 | NIST | |
| Inp | 1427.00 | NIST | |
| Inp | 1430.00 | NIST | |
| Inp | 1405.00 | NIST | |
| Inp | 1405.00 | NIST | |
| Inp | 1429.00 | NIST | |
| Inp | 1429.00 | NIST | |
| Inp | 1406.00 | NIST | |
| Inp | 1414.00 | NIST | |
| Inp | 1408.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1407.00 | NIST | |
| Inp | 1405.00 | NIST | |
| Inp | 1419.00 | NIST | |
| I | [1665.00; 1732.00] |
|
|
| I | 1699.00 | NIST | |
| I | 1732.00 | NIST | |
| I | 1672.00 | NIST | |
| I | 1696.60 | NIST | |
| I | 1704.60 | NIST | |
| I | 1705.70 | NIST | |
| I | 1728.70 | NIST | |
| I | 1686.70 | NIST | |
| I | 1701.80 | NIST | |
| I | 1706.60 | NIST | |
| I | 1711.60 | NIST | |
| I | 1710.00 | NIST | |
| I | 1732.00 | NIST | |
| I | 1694.00 | NIST | |
| I | 1703.00 | NIST | |
| I | 1710.00 | NIST | |
| I | Outlier 1665.00 | NIST | |
| I | 1695.00 | NIST | |
| Tboil | 344.15 ± 2.00 | K | NIST |
| Tc | 720.05 | K | Joback Calculated Property |
| Tfus | 261.80 ± 0.05 | K | NIST |
| Ttriple | 262.00 | K | Heat ca... |
| Vc | 0.732 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.17; 549.22] | J/mol×K | [550.25; 720.05] |
|
| Cp,gas | 464.17 | J/mol×K | 550.25 | Joback Calculated Property |
| Cp,gas | 479.84 | J/mol×K | 578.55 | Joback Calculated Property |
| Cp,gas | 494.90 | J/mol×K | 606.85 | Joback Calculated Property |
| Cp,gas | 509.36 | J/mol×K | 635.15 | Joback Calculated Property |
| Cp,gas | 523.23 | J/mol×K | 663.45 | Joback Calculated Property |
| Cp,gas | 536.51 | J/mol×K | 691.75 | Joback Calculated Property |
| Cp,gas | 549.22 | J/mol×K | 720.05 | Joback Calculated Property |
| Cp,liquid | [411.40; 446.50] | J/mol×K | [303.15; 373.15] |
|
| Cp,liquid | 411.40 | J/mol×K | 303.15 | Heat ca... |
| Cp,liquid | 415.90 | J/mol×K | 313.15 | Heat ca... |
| Cp,liquid | 420.90 | J/mol×K | 323.15 | Heat ca... |
| Cp,liquid | 426.10 | J/mol×K | 333.15 | Heat ca... |
| Cp,liquid | 431.40 | J/mol×K | 343.15 | Heat ca... |
| Cp,liquid | 436.70 | J/mol×K | 353.15 | Heat ca... |
| Cp,liquid | 441.80 | J/mol×K | 363.15 | Heat ca... |
| Cp,liquid | 446.50 | J/mol×K | 373.15 | Heat ca... |
| η | [0.0001878; 0.0030867] | Pa×s | [297.16; 550.25] |
|
| η | 0.0030867 | Pa×s | 297.16 | Joback Calculated Property |
| η | 0.0014485 | Pa×s | 339.34 | Joback Calculated Property |
| η | 0.0008035 | Pa×s | 381.52 | Joback Calculated Property |
| η | 0.0005012 | Pa×s | 423.70 | Joback Calculated Property |
| η | 0.0003406 | Pa×s | 465.89 | Joback Calculated Property |
| η | 0.0002467 | Pa×s | 508.07 | Joback Calculated Property |
| η | 0.0001878 | Pa×s | 550.25 | Joback Calculated Property |
| ΔvapH | [60.90; 67.00] | kJ/mol | [340.00; 433.00] |
|
| ΔvapH | 67.00 ± 0.10 | kJ/mol | 340.00 | NIST |
| ΔvapH | 66.10 | kJ/mol | 350.00 | NIST |
| ΔvapH | 60.90 | kJ/mol | 433.00 | NIST |
| Pvap | [3.58e-03; 0.01] | kPa | [305.25; 317.52] |
|
| Pvap | 3.58e-03 | kPa | 305.25 | Fatty a... |
| Pvap | 4.50e-03 | kPa | 307.81 | Fatty a... |
| Pvap | 5.57e-03 | kPa | 310.15 | Fatty a... |
| Pvap | 6.96e-03 | kPa | 312.67 | Fatty a... |
| Pvap | 8.55e-03 | kPa | 315.06 | Fatty a... |
| Pvap | 0.01 | kPa | 317.52 | Fatty a... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [389.72; 540.23] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55084e+01 | |||
| Coefficient B | -4.64990e+03 | |||
| Coefficient C | -8.42230e+01 | |||
| Temperature range, min. | 389.72 | |||
| Temperature range, max. | 540.23 | |||
| Pvap | 1.33 | kPa | 389.72 | Calculated Property |
| Pvap | 2.94 | kPa | 406.44 | Calculated Property |
| Pvap | 5.99 | kPa | 423.17 | Calculated Property |
| Pvap | 11.41 | kPa | 439.89 | Calculated Property |
| Pvap | 20.53 | kPa | 456.61 | Calculated Property |
| Pvap | 35.11 | kPa | 473.34 | Calculated Property |
| Pvap | 57.44 | kPa | 490.06 | Calculated Property |
| Pvap | 90.40 | kPa | 506.78 | Calculated Property |
| Pvap | 137.44 | kPa | 523.51 | Calculated Property |
| Pvap | 202.63 | kPa | 540.23 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecanoic acid, methyl ester.
Sources
- Crippen Method
- Crippen Method
- Heat capacities of potential organic phase change materials
- Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
- Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
- 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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