- InChI
- InChI=1S/C9H14O4/c1-7(6-13-9(3)11)4-5-12-8(2)10/h4H,5-6H2,1-3H3/b7-4+
- InChI Key
- LJPNEMAMFITRSO-QPJJXVBHSA-N
- Formula
- C9H14O4
- SMILES
- CC(=O)OC/C=C(\C)COC(C)=O
- Molecular Weight1
- 186.21
- Other Names
-
- 2-methyl-2-butene-1,4-diyl (E)-diacetate
- 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).
- Inp : Non-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 | 0.5142 | Relay (1.0) Calculated Property | |
| ΔfG° | -524.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -731.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.059 | Crippen Calculated Property | |
| McVol | 148.250 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| Inp | [1301.00; 1301.00] |
|
|
| Inp | 1301.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Tboil | 504.27 | K | Relay (1.0) Calculated Property |
| Tc | 672.70 | K | Relay (1.0) Calculated Property |
| Tfus | 247.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.554 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.38; 406.94] | J/mol×K | [526.00; 713.21] |
|
| Cp,gas | 340.38 | J/mol×K | 526.00 | Joback Calculated Property |
| Cp,gas | 352.97 | J/mol×K | 557.20 | Joback Calculated Property |
| Cp,gas | 364.95 | J/mol×K | 588.40 | Joback Calculated Property |
| Cp,gas | 376.33 | J/mol×K | 619.61 | Joback Calculated Property |
| Cp,gas | 387.12 | J/mol×K | 650.81 | Joback Calculated Property |
| Cp,gas | 397.32 | J/mol×K | 682.01 | Joback Calculated Property |
| Cp,gas | 406.94 | J/mol×K | 713.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-methylbut-2-en-1,4-diyl diacetate.
Sources
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