- InChI
- InChI=1S/C8H14O2/c1-4-7(2)5-6-8(9)10-3/h2,4-6H2,1,3H3
- InChI Key
- HREMKUVQMYGXPM-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- C=C(CC)CCC(=O)OC
- Molecular Weight1
- 142.20
- CAS
- 73805-48-8
- Other Names
-
- methyl 4-methylenehexanoate
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4275 | Relay (... Calculated Property | |
| ΔfG° | -138.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.24 | kJ/mol | Relay (... Calculated Property |
| IE | 9.45 | eV | Relay (... Calculated Property |
| log10WS | -1.89 | Relay (... Calculated Property | |
| logPoct/wat | 1.906 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2790.61 | kPa | Joback Calculated Property |
| I | [1345.00; 1345.00] |
|
|
| I | 1345.00 | NIST | |
| I | 1345.00 | NIST | |
| Tboil | 427.74 | K | Relay (... Calculated Property |
| Tc | 614.14 | K | Relay (... Calculated Property |
| Tfus | 196.29 | K | Relay (... Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.99; 327.16] | J/mol×K | [455.29; 637.18] |
|
| Cp,gas | 262.99 | J/mol×K | 455.29 | Joback Calculated Property |
| Cp,gas | 274.81 | J/mol×K | 485.61 | Joback Calculated Property |
| Cp,gas | 286.17 | J/mol×K | 515.92 | Joback Calculated Property |
| Cp,gas | 297.08 | J/mol×K | 546.24 | Joback Calculated Property |
| Cp,gas | 307.54 | J/mol×K | 576.55 | Joback Calculated Property |
| Cp,gas | 317.57 | J/mol×K | 606.87 | Joback Calculated Property |
| Cp,gas | 327.16 | J/mol×K | 637.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 4-methylene-, methyl ester.
Sources
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