- 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).
- Ip : 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 |
| Ip | [1671.00; 1671.00] |
|
|
| Ip | 1671.00 | NIST | |
| Ip | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.56; 368.85] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.99900e+01 | |||
| Coefficient B | 7.70840e-01 | |||
| Coefficient C | -4.85800e-04 | |||
| Coefficient D | 1.13800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 146.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 186.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 222.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 253.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 280.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 304.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 324.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 341.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 356.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 368.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030548; 0.0003834] | Pa×s | [213.92; 431.10] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -9.91063e+00 | |||
| Coefficient B | 8.81260e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 213.92 | |||
| Temperature range, max. | 431.10 | |||
| η | 0.0030548 | Pa×s | 213.92 | Calculated Property |
| η | 0.0020119 | Pa×s | 238.05 | Calculated Property |
| η | 0.0014310 | Pa×s | 262.18 | Calculated Property |
| η | 0.0010780 | Pa×s | 286.31 | Calculated Property |
| η | 0.0008486 | Pa×s | 310.44 | Calculated Property |
| η | 0.0006915 | Pa×s | 334.57 | Calculated Property |
| η | 0.0005792 | Pa×s | 358.71 | Calculated Property |
| η | 0.0004961 | Pa×s | 382.84 | Calculated Property |
| η | 0.0004328 | Pa×s | 406.97 | Calculated Property |
| η | 0.0003834 | Pa×s | 431.10 | 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
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