- InChI
- InChI=1S/C9H10O4/c1-3-4-5-6-12-9(11)7-13-8(2)10/h1,4-5H,6-7H2,2H3
- InChI Key
- LBWYRFGDVNLWTE-UHFFFAOYSA-N
- Formula
- C9H10O4
- SMILES
- C#CC=CCOC(=O)COC(C)=O
- Molecular Weight1
- 182.17
- 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° | -139.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.76 | kJ/mol | Joback Calculated Property |
| log10WS | -0.96 | Crippen Calculated Property | |
| logPoct/wat | 0.282 | Crippen Calculated Property | |
| McVol | 139.650 | ml/mol | McGowan Calculated Property |
| Pc | 3121.00 | kPa | Joback Calculated Property |
| Inp | 1274.00 | NIST | |
| Tboil | 552.18 | K | Joback Calculated Property |
| Tc | 753.92 | K | Joback Calculated Property |
| Tfus | 377.40 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.21; 366.21] | J/mol×K | [552.18; 753.92] | 
|
| Cp,gas | 311.21 | J/mol×K | 552.18 | Joback Calculated Property |
| Cp,gas | 321.63 | J/mol×K | 585.80 | Joback Calculated Property |
| Cp,gas | 331.54 | J/mol×K | 619.43 | Joback Calculated Property |
| Cp,gas | 340.94 | J/mol×K | 653.05 | Joback Calculated Property |
| Cp,gas | 349.85 | J/mol×K | 686.67 | Joback Calculated Property |
| Cp,gas | 358.27 | J/mol×K | 720.29 | Joback Calculated Property |
| Cp,gas | 366.21 | J/mol×K | 753.92 | Joback Calculated Property |
Similar Compounds
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Sources
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