- InChI
- InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
- InChI Key
- KISVAASFGZJBCY-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- C=CCCCCCCCCC(=O)OC
- Molecular Weight1
- 198.30
- CAS
- 111-81-9
- Other Names
-
- 10-hendecenoic acid, methyl ester
- Methyl 10-undecenate
- Methyl ester of 10-undecenoic acid
- Methyl undec-10-enylate
- Methyl undecenate
- Methyl undecenoate
- NSC 1273
- Undecenoic acid, methyl ester
- Undecylenic acid, methyl ester
- methyl 10-undecenoate
- methyl undec-10-enoate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.6368 | Relay (1.0) Calculated Property | |
| ΔfG° | -172.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1853.11 | kPa | Joback Calculated Property |
| Inp | [1395.00; 1429.00] |
|
|
| Inp | 1429.00 | NIST | |
| Inp | 1417.30 | NIST | |
| Inp | 1397.00 | NIST | |
| Inp | 1427.00 | NIST | |
| Inp | 1395.00 | NIST | |
| Inp | 1429.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Inp | 1427.00 | NIST | |
| Ip | [1718.00; 1733.00] |
|
|
| Ip | 1718.00 | NIST | |
| Ip | 1733.00 | NIST | |
| Ip | 1718.00 | NIST | |
| Tboil | 521.20 | K | NIST |
| Tc | 700.07 | K | Relay (1.0) Calculated Property |
| Tfus | 245.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.685 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 59.20 | kJ/mol | 460.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 397.20 | K | 1.30 | NIST |
Datasets
Mass density, kg/m3
| Fixed | Measured | |
|---|---|---|
| Pressure, kPa - Liquid | Temperature, K - Liquid | Mass density, kg/m3 - Liquid |
| 100.00 | 280.15 | 897.46 |
| 100.00 | 293.15 | 886.83 |
| 100.00 | 303.15 | 878.63 |
| 100.00 | 313.15 | 870.71 |
| 100.00 | 323.15 | 862.33 |
| 100.00 | 333.15 | 854.49 |
| 100.00 | 343.15 | 845.8 |
| 100.00 | 352.15 | 838.42 |
| 40000.00 | 280.15 | 914.37 |
| 40000.00 | 293.15 | 906.75 |
| 40000.00 | 303.15 | 895.63 |
| 40000.00 | 313.15 | 888.48 |
| 40000.00 | 323.15 | 881.75 |
| 40000.00 | 333.15 | 874.61 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.58; 618.02] | 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 | 1.43980e+01 | |||
| Coefficient B | 1.06902e+00 | |||
| Coefficient C | -5.57300e-04 | |||
| Coefficient D | 9.19000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 266.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 326.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 381.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 429.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 473.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 511.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 544.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 573.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 597.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 618.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0083500; 0.0002332] | Pa×s | [245.65; 489.33] |
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 | -1.19702e+01 | |||
| Coefficient B | 1.76492e+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. | 245.65 | |||
| Temperature range, max. | 489.33 | |||
| η | 0.0083500 | Pa×s | 245.65 | Calculated Property |
| η | 0.0040918 | Pa×s | 272.73 | Calculated Property |
| η | 0.0022808 | Pa×s | 299.80 | Calculated Property |
| η | 0.0014006 | Pa×s | 326.88 | Calculated Property |
| η | 0.0009267 | Pa×s | 353.95 | Calculated Property |
| η | 0.0006502 | Pa×s | 381.03 | Calculated Property |
| η | 0.0004782 | Pa×s | 408.11 | Calculated Property |
| η | 0.0003654 | Pa×s | 435.18 | Calculated Property |
| η | 0.0002881 | Pa×s | 462.26 | Calculated Property |
| η | 0.0002332 | Pa×s | 489.33 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [397.62; 550.70] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55377e+01 | |||
| Coefficient B | -4.75178e+03 | |||
| Coefficient C | -8.60300e+01 | |||
| Temperature range, min. | 397.62 | |||
| Temperature range, max. | 550.70 | |||
| Pvap | 1.33 | kPa | 397.62 | Calculated Property |
| Pvap | 2.94 | kPa | 414.63 | Calculated Property |
| Pvap | 5.98 | kPa | 431.64 | Calculated Property |
| Pvap | 11.40 | kPa | 448.65 | Calculated Property |
| Pvap | 20.50 | kPa | 465.66 | Calculated Property |
| Pvap | 35.07 | kPa | 482.66 | Calculated Property |
| Pvap | 57.40 | kPa | 499.67 | Calculated Property |
| Pvap | 90.36 | kPa | 516.68 | Calculated Property |
| Pvap | 137.42 | kPa | 533.69 | Calculated Property |
| Pvap | 202.66 | kPa | 550.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 10-Undecenoic acid, methyl ester.
Mixtures
- Methyl Alcohol + 10-Undecenoic acid, methyl ester
- Dodecane + 10-Undecenoic acid, methyl ester
- Dodecanedioic acid, dimethyl ester + 10-Undecenoic acid, methyl ester
- Carbon monoxide + 10-Undecenoic acid, methyl ester
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Phase Equilibria for the Hydroesterification of 10-Undecenoic Acid Methyl Ester
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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