- InChI
- InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h6H,4-5H2,1-3H3/b7-6-
- InChI Key
- HYQYCHQAUPHFKX-SREVYHEPSA-N
- Formula
- C8H14O2
- SMILES
- CC/C=C(/C)C(=O)OCC
- Molecular Weight1
- 142.20
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.4249 | Relay (1.0) Calculated Property | |
| ΔfG° | -222.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.906 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Ip | [1149.00; 1152.00] |
|
|
| Ip | 1149.00 | NIST | |
| Ip | 1152.00 | NIST | |
| Ip | 1149.00 | NIST | |
| Tboil | 433.73 | K | Relay (1.0) Calculated Property |
| Tc | 618.05 | K | Relay (1.0) Calculated Property |
| Tfus | 203.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.68; 409.31] | 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 | 7.15200e+00 | |||
| Coefficient B | 7.28960e-01 | |||
| Coefficient C | -4.02900e-04 | |||
| Coefficient D | 7.61000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 177.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 217.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 254.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 286.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 314.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 339.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 361.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 379.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 395.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 409.31 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to ethyl 2-methyl-2(Z)-pentenoate.
Sources
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