- InChI
- InChI=1S/C9H14O3/c1-5-6(2)9(11)12-8(4)7(3)10/h5,8H,1-4H3/b6-5+
- InChI Key
- PNUCZORMJRDQRQ-AATRIKPKSA-N
- Formula
- C9H14O3
- SMILES
- CC=C(C)C(=O)OC(C)C(C)=O
- Molecular Weight1
- 170.21
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -268.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.18 | kJ/mol | Joback Calculated Property |
| log10WS | -1.70 | Crippen Calculated Property | |
| logPoct/wat | 1.473 | Crippen Calculated Property | |
| McVol | 142.380 | ml/mol | McGowan Calculated Property |
| Pc | 2746.90 | kPa | Joback Calculated Property |
| Inp | 1198.00 | NIST | |
| Tboil | 539.08 | K | Joback Calculated Property |
| Tc | 737.09 | K | Joback Calculated Property |
| Tfus | 279.24 | K | Joback Calculated Property |
| Vc | 0.544 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.07; 391.36] | J/mol×K | [539.08; 737.09] | 
|
| Cp,gas | 325.07 | J/mol×K | 539.08 | Joback Calculated Property |
| Cp,gas | 337.61 | J/mol×K | 572.08 | Joback Calculated Property |
| Cp,gas | 349.53 | J/mol×K | 605.08 | Joback Calculated Property |
| Cp,gas | 360.85 | J/mol×K | 638.08 | Joback Calculated Property |
| Cp,gas | 371.59 | J/mol×K | 671.08 | Joback Calculated Property |
| Cp,gas | 381.75 | J/mol×K | 704.08 | Joback Calculated Property |
| Cp,gas | 391.36 | J/mol×K | 737.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Oxobutan-2-yl (E)-2-methylbut-2-enoate.
Sources
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