- InChI
- InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3-4H,1-2H3
- InChI Key
- PUVDDHUFFRRFMN-UHFFFAOYSA-N
- Formula
- C6H8O3
- SMILES
- CC1OC(C)C(=O)C1=O
- Molecular Weight1
- 128.13
- CAS
- 68755-49-7
- 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° | -302.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.90 | kJ/mol | Joback Calculated Property |
| log10WS | -0.10 | Crippen Calculated Property | |
| logPoct/wat | -0.068 | Crippen Calculated Property | |
| McVol | 93.550 | ml/mol | McGowan Calculated Property |
| Pc | 3975.52 | kPa | Joback Calculated Property |
| Inp | [1095.50; 1095.50] |
|
|
| Inp | 1095.50 | NIST | |
| Inp | 1095.50 | NIST | |
| Tboil | 509.88 | K | Joback Calculated Property |
| Tc | 744.55 | K | Joback Calculated Property |
| Tfus | 327.05 | K | Joback Calculated Property |
| Vc | 0.346 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.61; 289.01] | J/mol×K | [509.88; 744.55] |
|
| Cp,gas | 217.61 | J/mol×K | 509.88 | Joback Calculated Property |
| Cp,gas | 230.78 | J/mol×K | 548.99 | Joback Calculated Property |
| Cp,gas | 243.53 | J/mol×K | 588.10 | Joback Calculated Property |
| Cp,gas | 255.78 | J/mol×K | 627.21 | Joback Calculated Property |
| Cp,gas | 267.49 | J/mol×K | 666.32 | Joback Calculated Property |
| Cp,gas | 278.58 | J/mol×K | 705.44 | Joback Calculated Property |
| Cp,gas | 289.01 | J/mol×K | 744.55 | Joback Calculated Property |
Similar Compounds
![5-Methyl-2-octyl-[2 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)
Find more compounds similar to 2,5-Dimethylfuran-3,4(2H,5H)-dione.
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