![3,4,5-trimethyl-2[5H]-furanon](/cid/81-133-4/3-4-5-trimethyl-2-5H-furanon.png "3,4,5-trimethyl-2[5H]-furanon")
- InChI
- InChI=1S/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h6H,1-3H3
- InChI Key
- OSFZDFIHIYXIEL-UHFFFAOYSA-N
- Formula
- C7H10O2
- SMILES
- CC1=C(C)C(C)OC1=O
- Molecular Weight1
- 126.15
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -153.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.81 | kJ/mol | Joback Calculated Property |
| log10WS | -1.48 | Crippen Calculated Property | |
| logPoct/wat | 1.268 | Crippen Calculated Property | |
| McVol | 101.770 | ml/mol | McGowan Calculated Property |
| Pc | 3551.53 | kPa | Joback Calculated Property |
| I | [1821.00; 1822.00] |
|
|
| I | 1821.00 | NIST | |
| I | 1822.00 | NIST | |
| I | 1822.00 | NIST | |
| I | 1821.00 | NIST | |
| Tboil | 478.73 | K | Joback Calculated Property |
| Tc | 697.51 | K | Joback Calculated Property |
| Tfus | 300.14 | K | Joback Calculated Property |
| Vc | 0.383 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.26; 285.34] | J/mol×K | [478.73; 697.51] |
|
| Cp,gas | 219.26 | J/mol×K | 478.73 | Joback Calculated Property |
| Cp,gas | 231.43 | J/mol×K | 515.19 | Joback Calculated Property |
| Cp,gas | 243.16 | J/mol×K | 551.66 | Joback Calculated Property |
| Cp,gas | 254.43 | J/mol×K | 588.12 | Joback Calculated Property |
| Cp,gas | 265.23 | J/mol×K | 624.58 | Joback Calculated Property |
| Cp,gas | 275.54 | J/mol×K | 661.05 | Joback Calculated Property |
| Cp,gas | 285.34 | J/mol×K | 697.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,5-trimethyl-2[5H]-furanon.
Sources
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