- InChI
- InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3
- InChI Key
- FXNFFCMITPHEIT-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- C=CCCCCCCCCC(=O)OCC
- Molecular Weight1
- 212.33
- CAS
- 692-86-4
- Other Names
-
- Ethyl 10-hendecenoate
- Ethyl 10-undecenoate
- Ethyl undecenoate
- Ethyl undecylenate
- Undecenoic acid, ethyl ester
- ethyl 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).
- Inp : Non-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 | 0.6691 | Relay (1.0) Calculated Property | |
| ΔfG° | -163.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -527.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.856 | Crippen Calculated Property | |
| McVol | 197.170 | ml/mol | McGowan Calculated Property |
| Pc | 1708.95 | kPa | Joback Calculated Property |
| Inp | 1469.00 | NIST | |
| Tboil | 537.70 | K | NIST |
| Tc | 708.62 | K | Relay (1.0) Calculated Property |
| Tfus | 235.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.742 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 77.40 | kJ/mol | 468.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [404.70; 531.70] | K | [2.10; 101.00] |
|
| Tboilr | 404.70 | K | 2.10 | NIST |
| Tboilr | 531.70 | K | 101.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.79; 669.61] | 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 | 1.34890e+01 | |||
| Coefficient B | 1.16402e+00 | |||
| Coefficient C | -6.11700e-04 | |||
| Coefficient D | 1.03800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 287.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 353.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 412.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 465.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 512.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 553.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 589.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 620.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 647.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 669.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0150721; 0.0002212] | Pa×s | [235.15; 504.56] |
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 | -1.21008e+01 | |||
| Coefficient B | 1.85908e+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. | 235.15 | |||
| Temperature range, max. | 504.56 | |||
| η | 0.0150721 | Pa×s | 235.15 | Calculated Property |
| η | 0.0061723 | Pa×s | 265.08 | Calculated Property |
| η | 0.0030297 | Pa×s | 295.02 | Calculated Property |
| η | 0.0016955 | Pa×s | 324.95 | Calculated Property |
| η | 0.0010464 | Pa×s | 354.89 | Calculated Property |
| η | 0.0006962 | Pa×s | 384.82 | Calculated Property |
| η | 0.0004913 | Pa×s | 414.76 | Calculated Property |
| η | 0.0003633 | Pa×s | 444.69 | Calculated Property |
| η | 0.0002791 | Pa×s | 474.63 | Calculated Property |
| η | 0.0002212 | Pa×s | 504.56 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [410.82; 567.97] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55477e+01 | |||
| Coefficient B | -4.88633e+03 | |||
| Coefficient C | -9.06170e+01 | |||
| Temperature range, min. | 410.82 | |||
| Temperature range, max. | 567.97 | |||
| Pvap | 1.33 | kPa | 410.82 | Calculated Property |
| Pvap | 2.94 | kPa | 428.28 | Calculated Property |
| Pvap | 5.98 | kPa | 445.74 | Calculated Property |
| Pvap | 11.39 | kPa | 463.20 | Calculated Property |
| Pvap | 20.49 | kPa | 480.66 | Calculated Property |
| Pvap | 35.06 | kPa | 498.13 | Calculated Property |
| Pvap | 57.38 | kPa | 515.59 | Calculated Property |
| Pvap | 90.32 | kPa | 533.05 | Calculated Property |
| Pvap | 137.38 | kPa | 550.51 | Calculated Property |
| Pvap | 202.63 | kPa | 567.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 10-Undecenoic acid, ethyl 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
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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