- InChI
- InChI=1S/C7H12O2/c1-5(2)6-3-4-7(8)9-6/h5-6H,3-4H2,1-2H3
- InChI Key
- XTFLBVQDKFPSCS-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- CC(C)C1CCC(=O)O1
- Molecular Weight1
- 128.17
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -433.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.39 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.348 | Crippen Calculated Property | |
| McVol | 106.070 | ml/mol | McGowan Calculated Property |
| I | [1671.00; 1671.00] |
|
|
| I | 1671.00 | NIST | |
| I | 1671.00 | NIST | |
| Tboil | 509.70 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.30; 287.06] | J/mol×K | [424.28; 615.85] |
|
| Cp,gas | 218.30 | J/mol×K | 424.28 | Joback Calculated Property |
| Cp,gas | 231.37 | J/mol×K | 456.21 | Joback Calculated Property |
| Cp,gas | 243.77 | J/mol×K | 488.14 | Joback Calculated Property |
| Cp,gas | 255.51 | J/mol×K | 520.07 | Joback Calculated Property |
| Cp,gas | 266.63 | J/mol×K | 552.00 | Joback Calculated Property |
| Cp,gas | 277.14 | J/mol×K | 583.93 | Joback Calculated Property |
| Cp,gas | 287.06 | J/mol×K | 615.85 | Joback Calculated Property |
| η | [0.0003962; 0.0030548] | Pa×s | [213.92; 424.28] |
|
| η | 0.0030548 | Pa×s | 213.92 | Joback Calculated Property |
| η | 0.0017102 | Pa×s | 248.98 | Joback Calculated Property |
| η | 0.0011049 | Pa×s | 284.04 | Joback Calculated Property |
| η | 0.0007857 | Pa×s | 319.10 | Joback Calculated Property |
| η | 0.0005978 | Pa×s | 354.16 | Joback Calculated Property |
| η | 0.0004777 | Pa×s | 389.22 | Joback Calculated Property |
| η | 0.0003962 | Pa×s | 424.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dihydro-5-isopropyl-3(2H)-furanone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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