- InChI
- InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8-
- InChI Key
- AWNIQMQADACLCJ-HJWRWDBZSA-N
- Formula
- C12H22O2
- SMILES
- CCCCC/C=C\CCC(=O)OCC
- Molecular Weight1
- 198.31
- Other Names
-
- Ethyl cis-4-decenoate
- Ethyl (4Z)-4-decenoate
- Ethyl (Z)-4-decenoate
- 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).
- 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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 | 0.5847 | Relay (1.0) Calculated Property | |
| ΔfG° | -179.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -520.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1869.17 | kPa | Joback Calculated Property |
| Inp | [1345.00; 1363.00] |
|
|
| Inp | 1363.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | Outlier 1345.00 | NIST | |
| Inp | 1359.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | Outlier 1345.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Ip | [1699.00; 1699.00] |
|
|
| Ip | 1699.00 | NIST | |
| Ip | 1699.00 | NIST | |
| Tboil | 495.60 | K | Relay (1.0) Calculated Property |
| Tc | 687.23 | K | Relay (1.0) Calculated Property |
| Tfus | 192.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.678 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.38; 615.95] | 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 | 3.20700e+00 | |||
| Coefficient B | 1.10904e+00 | |||
| Coefficient C | -6.18200e-04 | |||
| Coefficient D | 1.21900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 262.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 323.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 378.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 427.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 470.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 508.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 541.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 570.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 594.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 615.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049647; 0.0001915] | Pa×s | [262.25; 497.29] |
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 | -1.21932e+01 | |||
| Coefficient B | 1.80632e+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. | 262.25 | |||
| Temperature range, max. | 497.29 | |||
| η | 0.0049647 | Pa×s | 262.25 | Calculated Property |
| η | 0.0026606 | Pa×s | 288.37 | Calculated Property |
| η | 0.0015815 | Pa×s | 314.48 | Calculated Property |
| η | 0.0010181 | Pa×s | 340.60 | Calculated Property |
| η | 0.0006979 | Pa×s | 366.71 | Calculated Property |
| η | 0.0005030 | Pa×s | 392.83 | Calculated Property |
| η | 0.0003776 | Pa×s | 418.94 | Calculated Property |
| η | 0.0002932 | Pa×s | 445.06 | Calculated Property |
| η | 0.0002342 | Pa×s | 471.17 | Calculated Property |
| η | 0.0001915 | Pa×s | 497.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Decenoic acid, ethyl ester, (z)-.
Sources
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