- InChI
- InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3
- InChI Key
- WNVCMFHPRIBNCW-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- CCCCC1OC(=O)CC1C
- Molecular Weight1
- 156.22
- CAS
- 39638-67-0
- Other Names
-
- 5-Butyl-4-methyldihydro-2(3H)-furanone, trans-
- trans-Whiskey lactone
- (E)-Whiskylactone
- t-Whiskylactone
- 2(3H)-Furanone, 5-butyldihydro-4-methyl-, trans-
- trans-4-Hydroxy-3-methyloctanoic acid, «gamma»-lactone
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4725 | Relay (... Calculated Property | |
| ΔfG° | -154.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.43 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.86 | kJ/mol | Relay (... Calculated Property |
| IE | 10.07 | eV | Relay (... Calculated Property |
| log10WS | -2.56 | Relay (... Calculated Property | |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 134.250 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Tboil | 519.08 | K | Relay (... Calculated Property |
| Tc | 685.14 | K | Relay (... Calculated Property |
| Tfus | 226.69 | K | Relay (... Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.83; 413.48] | J/mol×K | [510.70; 718.10] | 
|
| Cp,gas | 323.83 | J/mol×K | 510.70 | Joback Calculated Property |
| Cp,gas | 340.60 | J/mol×K | 545.27 | Joback Calculated Property |
| Cp,gas | 356.64 | J/mol×K | 579.83 | Joback Calculated Property |
| Cp,gas | 371.95 | J/mol×K | 614.40 | Joback Calculated Property |
| Cp,gas | 386.53 | J/mol×K | 648.97 | Joback Calculated Property |
| Cp,gas | 400.37 | J/mol×K | 683.53 | Joback Calculated Property |
| Cp,gas | 413.48 | J/mol×K | 718.10 | Joback Calculated Property |
Similar Compounds
![(3R,3aS,6R,7[a]R)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one.](data:image/png;base64,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)
Find more compounds similar to trans-3-Methyl-4-octanolide.
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