- InChI
- InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-12-10(9)11/h9H,2-8H2,1H3
- InChI Key
- IBVDLVUXSDSVQF-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CCCCCCC1CCOC1=O
- Molecular Weight1
- 170.25
- Other Names
-
- 3-hexyldihydrofuran-2(3H)-one
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -477.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.64 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.520 | Crippen Calculated Property | |
| McVol | 148.340 | ml/mol | McGowan Calculated Property |
| Inp | 1441.00 | NIST | |
| Tboil | 543.43 | K | Relay (1.0) Calculated Property |
| Tfus | 253.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [347.78; 429.66] | J/mol×K | [493.36; 675.28] | 
|
| Cp,gas | 347.78 | J/mol×K | 493.36 | Joback Calculated Property |
| Cp,gas | 363.22 | J/mol×K | 523.68 | Joback Calculated Property |
| Cp,gas | 377.92 | J/mol×K | 554.00 | Joback Calculated Property |
| Cp,gas | 391.88 | J/mol×K | 584.32 | Joback Calculated Property |
| Cp,gas | 405.14 | J/mol×K | 614.64 | Joback Calculated Property |
| Cp,gas | 417.73 | J/mol×K | 644.96 | Joback Calculated Property |
| Cp,gas | 429.66 | J/mol×K | 675.28 | Joback Calculated Property |
| η | [0.0004066; 0.0030147] | Pa×s | [262.73; 493.36] |
|
| η | 0.0030147 | Pa×s | 262.73 | Joback Calculated Property |
| η | 0.0017446 | Pa×s | 301.17 | Joback Calculated Property |
| η | 0.0011427 | Pa×s | 339.61 | Joback Calculated Property |
| η | 0.0008157 | Pa×s | 378.04 | Joback Calculated Property |
| η | 0.0006197 | Pa×s | 416.48 | Joback Calculated Property |
| η | 0.0004931 | Pa×s | 454.92 | Joback Calculated Property |
| η | 0.0004066 | Pa×s | 493.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ALPHA-HEXYL-GAMMA-BUTYROLACTONE.
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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