- InChI
- InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+
- InChI Key
- SJRXWMQZUAOMRJ-VOTSOKGWSA-N
- Formula
- C8H14O2
- SMILES
- CCCC=CC(=O)OCC
- Molecular Weight1
- 142.20
- CAS
- 1552-67-6
- Other Names
-
- Ethyl 2-hexenoate
- Ethyl ester of 2-hexenoic acid
- Ethyl hex-2-enoate
- 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).
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -137.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.52 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.906 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2805.41 | kPa | Joback Calculated Property |
| Inp | [1018.00; 1049.00] |
|
|
| Inp | 1036.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1036.00 | NIST | |
| I | [1305.00; 1360.00] |
|
|
| I | 1328.00 | NIST | |
| I | 1343.00 | NIST | |
| I | 1336.00 | NIST | |
| I | Outlier 1305.00 | NIST | |
| I | 1329.00 | NIST | |
| I | 1357.00 | NIST | |
| I | 1360.00 | NIST | |
| I | 1360.00 | NIST | |
| I | 1336.00 | NIST | |
| I | 1357.00 | NIST | |
| I | 1328.00 | NIST | |
| I | 1329.00 | NIST | |
| Tboil | 462.89 | K | Joback Calculated Property |
| Tc | 646.21 | K | Joback Calculated Property |
| Tfus | 247.00 | K | Joback Calculated Property |
| Vc | 0.487 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.30; 327.49] | J/mol×K | [462.89; 646.21] |
|
| Cp,gas | 263.30 | J/mol×K | 462.89 | Joback Calculated Property |
| Cp,gas | 275.19 | J/mol×K | 493.44 | Joback Calculated Property |
| Cp,gas | 286.60 | J/mol×K | 524.00 | Joback Calculated Property |
| Cp,gas | 297.52 | J/mol×K | 554.55 | Joback Calculated Property |
| Cp,gas | 307.96 | J/mol×K | 585.10 | Joback Calculated Property |
| Cp,gas | 317.95 | J/mol×K | 615.66 | Joback Calculated Property |
| Cp,gas | 327.49 | J/mol×K | 646.21 | Joback Calculated Property |
| η | [0.0002123; 0.0030324] | Pa×s | [247.00; 462.89] |
|
| η | 0.0030324 | Pa×s | 247.00 | Joback Calculated Property |
| η | 0.0014687 | Pa×s | 282.98 | Joback Calculated Property |
| η | 0.0008378 | Pa×s | 318.96 | Joback Calculated Property |
| η | 0.0005355 | Pa×s | 354.94 | Joback Calculated Property |
| η | 0.0003717 | Pa×s | 390.93 | Joback Calculated Property |
| η | 0.0002744 | Pa×s | 426.91 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 462.89 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [338.82; 467.44] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59838e+01 | |||
| Coefficient B | -4.28857e+03 | |||
| Coefficient C | -6.55970e+01 | |||
| Temperature range, min. | 338.82 | |||
| Temperature range, max. | 467.44 | |||
| Pvap | 1.33 | kPa | 338.82 | Calculated Property |
| Pvap | 2.91 | kPa | 353.11 | Calculated Property |
| Pvap | 5.89 | kPa | 367.40 | Calculated Property |
| Pvap | 11.21 | kPa | 381.69 | Calculated Property |
| Pvap | 20.15 | kPa | 395.98 | Calculated Property |
| Pvap | 34.52 | kPa | 410.28 | Calculated Property |
| Pvap | 56.65 | kPa | 424.57 | Calculated Property |
| Pvap | 89.51 | kPa | 438.86 | Calculated Property |
| Pvap | 136.73 | kPa | 453.15 | Calculated Property |
| Pvap | 202.67 | kPa | 467.44 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexenoic acid, ethyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.